smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1C[C@H](C)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737541175 945092147 /nfs/dbraw/zinc/09/21/47/945092147.db2.gz ZAJMUNVZWNTHRF-VIFPVBQESA-N -1 3 384.400 1.047 20 50 GDGDHM Cc1noc(C)c1C[C@H](C)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737541175 945092157 /nfs/dbraw/zinc/09/21/57/945092157.db2.gz ZAJMUNVZWNTHRF-VIFPVBQESA-N -1 3 384.400 1.047 20 50 GDGDHM O=C(C=Cc1ccc2ccccc2n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737796039 945125378 /nfs/dbraw/zinc/12/53/78/945125378.db2.gz DZHYKBHCYYBKHF-ZHACJKMWSA-N -1 3 385.387 1.889 20 50 GDGDHM O=C(C=Cc1ccc2ccccc2n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737796039 945125384 /nfs/dbraw/zinc/12/53/84/945125384.db2.gz DZHYKBHCYYBKHF-ZHACJKMWSA-N -1 3 385.387 1.889 20 50 GDGDHM O=C(CN1CCC[C@H]1c1ccco1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737876150 945142556 /nfs/dbraw/zinc/14/25/56/945142556.db2.gz HKSJRNXOQZLJTB-AWEZNQCLSA-N -1 3 381.396 1.058 20 50 GDGDHM O=C(CN1CCC[C@H]1c1ccco1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737876150 945142565 /nfs/dbraw/zinc/14/25/65/945142565.db2.gz HKSJRNXOQZLJTB-AWEZNQCLSA-N -1 3 381.396 1.058 20 50 GDGDHM O=C(COCc1ccccc1)NNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737915527 945150526 /nfs/dbraw/zinc/15/05/26/945150526.db2.gz CWYXHTDBBZNATD-UHFFFAOYSA-N -1 3 383.437 1.401 20 50 GDGDHM O=C(COCc1ccccc1)NNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737915527 945150534 /nfs/dbraw/zinc/15/05/34/945150534.db2.gz CWYXHTDBBZNATD-UHFFFAOYSA-N -1 3 383.437 1.401 20 50 GDGDHM O=C(Cc1coc(-c2cccs2)n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737977378 945171655 /nfs/dbraw/zinc/17/16/55/945171655.db2.gz BRFCTFYLVQFXLA-UHFFFAOYSA-N -1 3 395.404 1.587 20 50 GDGDHM O=C(Cc1coc(-c2cccs2)n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737977378 945171658 /nfs/dbraw/zinc/17/16/58/945171658.db2.gz BRFCTFYLVQFXLA-UHFFFAOYSA-N -1 3 395.404 1.587 20 50 GDGDHM O=C(NC[C@H]1CCCc2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738050118 945177139 /nfs/dbraw/zinc/17/71/39/945177139.db2.gz NVJWHOUNLVXPIB-MRXNPFEDSA-N -1 3 391.435 1.931 20 50 GDGDHM O=C(NC[C@H]1CCCc2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738050118 945177141 /nfs/dbraw/zinc/17/71/41/945177141.db2.gz NVJWHOUNLVXPIB-MRXNPFEDSA-N -1 3 391.435 1.931 20 50 GDGDHM O=C(NN=Cc1ccc(C(=O)NC2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738128415 945194615 /nfs/dbraw/zinc/19/46/15/945194615.db2.gz BNUJCSPVTBNDDM-UHFFFAOYSA-N -1 3 375.392 1.523 20 50 GDGDHM O=C(NN=Cc1ccc(C(=O)NC2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738128415 945194617 /nfs/dbraw/zinc/19/46/17/945194617.db2.gz BNUJCSPVTBNDDM-UHFFFAOYSA-N -1 3 375.392 1.523 20 50 GDGDHM O=C(NN=Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129203 945199146 /nfs/dbraw/zinc/19/91/46/945199146.db2.gz QHYYNINSTVJDJZ-UHFFFAOYSA-N -1 3 395.398 1.606 20 50 GDGDHM O=C(NN=Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129203 945199148 /nfs/dbraw/zinc/19/91/48/945199148.db2.gz QHYYNINSTVJDJZ-UHFFFAOYSA-N -1 3 395.398 1.606 20 50 GDGDHM O=C(NN[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738134407 945218382 /nfs/dbraw/zinc/21/83/82/945218382.db2.gz LUCJGGJSVIZUJF-INIZCTEOSA-N -1 3 395.398 1.260 20 50 GDGDHM O=C(NN[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738134407 945218388 /nfs/dbraw/zinc/21/83/88/945218388.db2.gz LUCJGGJSVIZUJF-INIZCTEOSA-N -1 3 395.398 1.260 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000738135683 945227146 /nfs/dbraw/zinc/22/71/46/945227146.db2.gz AWYKVFDYOXJRMH-UHFFFAOYSA-N -1 3 392.335 1.331 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000738135683 945227151 /nfs/dbraw/zinc/22/71/51/945227151.db2.gz AWYKVFDYOXJRMH-UHFFFAOYSA-N -1 3 392.335 1.331 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738135676 945227668 /nfs/dbraw/zinc/22/76/68/945227668.db2.gz AVHZVOJAVXAHKR-RYUDHWBXSA-N -1 3 397.361 1.932 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738135676 945227678 /nfs/dbraw/zinc/22/76/78/945227678.db2.gz AVHZVOJAVXAHKR-RYUDHWBXSA-N -1 3 397.361 1.932 20 50 GDGDHM O=C(NNC(=O)c1cc(=O)c2ccccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000738136203 945232000 /nfs/dbraw/zinc/23/20/00/945232000.db2.gz HVZFJDMINRZFPB-UHFFFAOYSA-N -1 3 376.332 1.048 20 50 GDGDHM O=C(NNC(=O)c1cc(=O)c2ccccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000738136203 945232008 /nfs/dbraw/zinc/23/20/08/945232008.db2.gz HVZFJDMINRZFPB-UHFFFAOYSA-N -1 3 376.332 1.048 20 50 GDGDHM O=C(NNC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738136361 945233806 /nfs/dbraw/zinc/23/38/06/945233806.db2.gz KTHSXASCHAQLLS-LLVKDONJSA-N -1 3 383.334 1.495 20 50 GDGDHM O=C(NNC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738136361 945233816 /nfs/dbraw/zinc/23/38/16/945233816.db2.gz KTHSXASCHAQLLS-LLVKDONJSA-N -1 3 383.334 1.495 20 50 GDGDHM O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738137053 945240634 /nfs/dbraw/zinc/24/06/34/945240634.db2.gz MCEGBRJZHBBDBY-UHFFFAOYSA-N -1 3 399.436 1.064 20 50 GDGDHM O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738137053 945240644 /nfs/dbraw/zinc/24/06/44/945240644.db2.gz MCEGBRJZHBBDBY-UHFFFAOYSA-N -1 3 399.436 1.064 20 50 GDGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)c1cccc(C#N)c1 ZINC000820001618 945326199 /nfs/dbraw/zinc/32/61/99/945326199.db2.gz VKBJVCKBGXGDOV-UHFFFAOYSA-N -1 3 391.391 1.357 20 50 GDGDHM CC(C)[C@H]1OCCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820044955 945337218 /nfs/dbraw/zinc/33/72/18/945337218.db2.gz JTVASMRAQNPZPV-LSDHHAIUSA-N -1 3 387.444 1.262 20 50 GDGDHM CC(C)[C@H]1OCCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820044955 945337228 /nfs/dbraw/zinc/33/72/28/945337228.db2.gz JTVASMRAQNPZPV-LSDHHAIUSA-N -1 3 387.444 1.262 20 50 GDGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(N2CCOCC2)c1 ZINC000735451291 944661550 /nfs/dbraw/zinc/66/15/50/944661550.db2.gz XGYMBXNATUXKTL-UHFFFAOYSA-N -1 3 391.435 1.857 20 50 GDGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(N2CCOCC2)c1 ZINC000735451291 944661555 /nfs/dbraw/zinc/66/15/55/944661555.db2.gz XGYMBXNATUXKTL-UHFFFAOYSA-N -1 3 391.435 1.857 20 50 GDGDHM CC(C)CCC(=O)NNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735796110 944701487 /nfs/dbraw/zinc/70/14/87/944701487.db2.gz UDCFXUZOBAGVOT-UHFFFAOYSA-N -1 3 386.460 1.166 20 50 GDGDHM CC(C)CCC(=O)NNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735796110 944701494 /nfs/dbraw/zinc/70/14/94/944701494.db2.gz UDCFXUZOBAGVOT-UHFFFAOYSA-N -1 3 386.460 1.166 20 50 GDGDHM CC(C)Oc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000735913924 944712357 /nfs/dbraw/zinc/71/23/57/944712357.db2.gz DVHAVFHAFIUBAB-UHFFFAOYSA-N -1 3 396.411 1.193 20 50 GDGDHM CC(C)Oc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000735913924 944712366 /nfs/dbraw/zinc/71/23/66/944712366.db2.gz DVHAVFHAFIUBAB-UHFFFAOYSA-N -1 3 396.411 1.193 20 50 GDGDHM C[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc(O)c1 ZINC000736119231 944742399 /nfs/dbraw/zinc/74/23/99/944742399.db2.gz ROTDKSVNHSGYKT-NSHDSACASA-N -1 3 397.395 1.043 20 50 GDGDHM CC[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736311940 944796101 /nfs/dbraw/zinc/79/61/01/944796101.db2.gz CPMLBTNPWSPDRF-UKRRQHHQSA-N -1 3 394.435 1.975 20 50 GDGDHM CC[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736311940 944796111 /nfs/dbraw/zinc/79/61/11/944796111.db2.gz CPMLBTNPWSPDRF-UKRRQHHQSA-N -1 3 394.435 1.975 20 50 GDGDHM CCCC[C@H](NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C)on1 ZINC000736438100 944820158 /nfs/dbraw/zinc/82/01/58/944820158.db2.gz LNSKFDIRANGYAZ-AWEZNQCLSA-N -1 3 398.427 1.595 20 50 GDGDHM CCCC[C@H](NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C)on1 ZINC000736438100 944820165 /nfs/dbraw/zinc/82/01/65/944820165.db2.gz LNSKFDIRANGYAZ-AWEZNQCLSA-N -1 3 398.427 1.595 20 50 GDGDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NNC(=O)Cc1cccnc1 ZINC000736479404 944831544 /nfs/dbraw/zinc/83/15/44/944831544.db2.gz GTJVHQNYNZGLMC-UHFFFAOYSA-N -1 3 394.439 1.457 20 50 GDGDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1cccnc1 ZINC000736479404 944831549 /nfs/dbraw/zinc/83/15/49/944831549.db2.gz GTJVHQNYNZGLMC-UHFFFAOYSA-N -1 3 394.439 1.457 20 50 GDGDHM CCCNC(=O)c1cccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736488305 944833643 /nfs/dbraw/zinc/83/36/43/944833643.db2.gz NZQJNZSOPPQWER-UHFFFAOYSA-N -1 3 393.407 1.081 20 50 GDGDHM CCCNC(=O)c1cccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736488305 944833646 /nfs/dbraw/zinc/83/36/46/944833646.db2.gz NZQJNZSOPPQWER-UHFFFAOYSA-N -1 3 393.407 1.081 20 50 GDGDHM CCN(C)c1ccccc1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736511843 944837568 /nfs/dbraw/zinc/83/75/68/944837568.db2.gz LMGDPYGEVPXAMJ-UHFFFAOYSA-N -1 3 394.439 1.467 20 50 GDGDHM CCN(C)c1ccccc1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736511843 944837577 /nfs/dbraw/zinc/83/75/77/944837577.db2.gz LMGDPYGEVPXAMJ-UHFFFAOYSA-N -1 3 394.439 1.467 20 50 GDGDHM COC(=O)[C@H](NNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894461 944906332 /nfs/dbraw/zinc/90/63/32/944906332.db2.gz CWAGQQCMWXFGQH-CQSZACIVSA-N -1 3 386.799 1.669 20 50 GDGDHM COC(=O)[C@H](NNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894461 944906337 /nfs/dbraw/zinc/90/63/37/944906337.db2.gz CWAGQQCMWXFGQH-CQSZACIVSA-N -1 3 386.799 1.669 20 50 GDGDHM COC(=O)[C@H](NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000736896266 944907772 /nfs/dbraw/zinc/90/77/72/944907772.db2.gz HLEHRWKVUNCQBD-CQSZACIVSA-N -1 3 386.799 1.669 20 50 GDGDHM COC(=O)[C@H](NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000736896266 944907784 /nfs/dbraw/zinc/90/77/84/944907784.db2.gz HLEHRWKVUNCQBD-CQSZACIVSA-N -1 3 386.799 1.669 20 50 GDGDHM CO[C@H](CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C(F)(F)F ZINC000736959388 944919035 /nfs/dbraw/zinc/91/90/35/944919035.db2.gz BTSPVNLNDBJCOI-GFSSTFBJSA-N -1 3 383.334 1.114 20 50 GDGDHM CO[C@H](CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(F)(F)F ZINC000736959388 944919041 /nfs/dbraw/zinc/91/90/41/944919041.db2.gz BTSPVNLNDBJCOI-GFSSTFBJSA-N -1 3 383.334 1.114 20 50 GDGDHM COc1cc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000737044762 944940505 /nfs/dbraw/zinc/94/05/05/944940505.db2.gz ROJZDFVIRYKDQF-UHFFFAOYSA-N -1 3 382.380 1.656 20 50 GDGDHM COc1cc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000737044762 944940517 /nfs/dbraw/zinc/94/05/17/944940517.db2.gz ROJZDFVIRYKDQF-UHFFFAOYSA-N -1 3 382.380 1.656 20 50 GDGDHM COc1ccc(C(=O)NN=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OC ZINC000737067293 944942098 /nfs/dbraw/zinc/94/20/98/944942098.db2.gz LHLSWTVKPRVIOA-UHFFFAOYSA-N -1 3 382.380 1.656 20 50 GDGDHM COc1ccc(C(=O)NN=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OC ZINC000737067293 944942106 /nfs/dbraw/zinc/94/21/06/944942106.db2.gz LHLSWTVKPRVIOA-UHFFFAOYSA-N -1 3 382.380 1.656 20 50 GDGDHM COc1ccc(C(C)=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1NC(C)=O ZINC000737073795 944944108 /nfs/dbraw/zinc/94/41/08/944944108.db2.gz SYQORLSFESUTKU-UHFFFAOYSA-N -1 3 393.407 1.988 20 50 GDGDHM COc1ccc(C(C)=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000737073795 944944112 /nfs/dbraw/zinc/94/41/12/944944112.db2.gz SYQORLSFESUTKU-UHFFFAOYSA-N -1 3 393.407 1.988 20 50 GDGDHM COc1ccc(C=NNC(=O)CN2CCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000737081514 944952550 /nfs/dbraw/zinc/95/25/50/944952550.db2.gz OGTDMOKJYJCJCR-UHFFFAOYSA-N -1 3 391.435 1.778 20 50 GDGDHM COc1ccc(C=NNC(=O)CN2CCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000737081514 944952555 /nfs/dbraw/zinc/95/25/55/944952555.db2.gz OGTDMOKJYJCJCR-UHFFFAOYSA-N -1 3 391.435 1.778 20 50 GDGDHM COc1cccc(CO[C@@H](C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737133038 944966326 /nfs/dbraw/zinc/96/63/26/944966326.db2.gz WAKODKPBLKZRNQ-LBPRGKRZSA-N -1 3 396.407 1.242 20 50 GDGDHM COc1cccc(CO[C@@H](C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737133038 944966330 /nfs/dbraw/zinc/96/63/30/944966330.db2.gz WAKODKPBLKZRNQ-LBPRGKRZSA-N -1 3 396.407 1.242 20 50 GDGDHM COc1ccccc1CC(C)(C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737151439 944971048 /nfs/dbraw/zinc/97/10/48/944971048.db2.gz CGKFPKJZPBADBL-UHFFFAOYSA-N -1 3 394.435 1.905 20 50 GDGDHM COc1ccccc1CC(C)(C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737151439 944971054 /nfs/dbraw/zinc/97/10/54/944971054.db2.gz CGKFPKJZPBADBL-UHFFFAOYSA-N -1 3 394.435 1.905 20 50 GDGDHM COc1ccccc1C[C@@H](C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737153684 944971955 /nfs/dbraw/zinc/97/19/55/944971955.db2.gz UDOSHOJRSPDNBJ-CYBMUJFWSA-N -1 3 394.435 1.905 20 50 GDGDHM COc1ccccc1C[C@@H](C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737153684 944971961 /nfs/dbraw/zinc/97/19/61/944971961.db2.gz UDOSHOJRSPDNBJ-CYBMUJFWSA-N -1 3 394.435 1.905 20 50 GDGDHM CS[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000737169842 944975036 /nfs/dbraw/zinc/97/50/36/944975036.db2.gz FMLZNUAQOWCHDM-OLZOCXBDSA-N -1 3 375.458 1.485 20 50 GDGDHM CS[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000737169842 944975043 /nfs/dbraw/zinc/97/50/43/944975043.db2.gz 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20 50 GDGDHM COCCc1nc(C)c(C(C)=NNC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000826163103 608882131 /nfs/dbraw/zinc/88/21/31/608882131.db2.gz GTFSWYYUOLTXMF-UHFFFAOYSA-N -1 3 385.453 1.975 20 50 GDGDHM COCCc1nc(C)c(C(C)=NNC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000826163103 608882133 /nfs/dbraw/zinc/88/21/33/608882133.db2.gz GTFSWYYUOLTXMF-UHFFFAOYSA-N -1 3 385.453 1.975 20 50 GDGDHM COc1cc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826178839 608883114 /nfs/dbraw/zinc/88/31/14/608883114.db2.gz ONEDLBNFKGGOEB-UHFFFAOYSA-N -1 3 397.351 1.313 20 50 GDGDHM COc1cc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826178839 608883115 /nfs/dbraw/zinc/88/31/15/608883115.db2.gz ONEDLBNFKGGOEB-UHFFFAOYSA-N -1 3 397.351 1.313 20 50 GDGDHM COc1cc(C)c(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000826178282 609373850 /nfs/dbraw/zinc/37/38/50/609373850.db2.gz QUGLWNINPWTVCN-UHFFFAOYSA-N -1 3 381.396 1.416 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000826448590 609391267 /nfs/dbraw/zinc/39/12/67/609391267.db2.gz BPMUYIOXWKEBJD-UHFFFAOYSA-N -1 3 383.353 1.537 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000826448590 609391268 /nfs/dbraw/zinc/39/12/68/609391268.db2.gz BPMUYIOXWKEBJD-UHFFFAOYSA-N -1 3 383.353 1.537 20 50 GDGDHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824908995 609600894 /nfs/dbraw/zinc/60/08/94/609600894.db2.gz SFHLUKYOUYVIPN-SKDRFNHKSA-N -1 3 397.361 1.884 20 50 GDGDHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824908995 609600895 /nfs/dbraw/zinc/60/08/95/609600895.db2.gz SFHLUKYOUYVIPN-SKDRFNHKSA-N -1 3 397.361 1.884 20 50 GDGDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NNC(=O)Cc1ccccn1 ZINC000737833580 945134397 /nfs/dbraw/zinc/13/43/97/945134397.db2.gz WRNRYZWGKCOVEK-UHFFFAOYSA-N -1 3 395.423 1.201 20 50 GDGDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NNC(=O)Cc1ccccn1 ZINC000737833580 945134406 /nfs/dbraw/zinc/13/44/06/945134406.db2.gz WRNRYZWGKCOVEK-UHFFFAOYSA-N 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GDGDHM O=C(NNC(=O)[C@H]1C[C@]12CCOc1ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000738130829 945212308 /nfs/dbraw/zinc/21/23/08/945212308.db2.gz XEAXDQSQMJXNOB-QRWLVFNGSA-N -1 3 390.403 1.368 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000738133994 945215439 /nfs/dbraw/zinc/21/54/39/945215439.db2.gz BPYJUEJSHKQOPJ-UHFFFAOYSA-N -1 3 392.297 1.840 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000738133994 945215445 /nfs/dbraw/zinc/21/54/45/945215445.db2.gz BPYJUEJSHKQOPJ-UHFFFAOYSA-N -1 3 392.297 1.840 20 50 GDGDHM O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134236 945217444 /nfs/dbraw/zinc/21/74/44/945217444.db2.gz HMSFEIHSEHUZNG-UHFFFAOYSA-N -1 3 376.298 1.960 20 50 GDGDHM O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134236 945217449 /nfs/dbraw/zinc/21/74/49/945217449.db2.gz HMSFEIHSEHUZNG-UHFFFAOYSA-N -1 3 376.298 1.960 20 50 GDGDHM O=C(NNC(=O)c1cccc(N2CCCC2=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134301 945219153 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DGFMZVYATDKRKJ-UHFFFAOYSA-N -1 3 394.399 1.224 20 50 GDGDHM CC(=NNC(=O)c1c[nH]nc1C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735449039 944656925 /nfs/dbraw/zinc/65/69/25/944656925.db2.gz UUPPWNHPFVZLGD-UHFFFAOYSA-N -1 3 390.411 1.546 20 50 GDGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(N2CCOC2=O)c1 ZINC000735448138 944657769 /nfs/dbraw/zinc/65/77/69/944657769.db2.gz QGUATVMFDNHBQV-UHFFFAOYSA-N -1 3 391.391 1.977 20 50 GDGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(N2CCOC2=O)c1 ZINC000735448138 944657775 /nfs/dbraw/zinc/65/77/75/944657775.db2.gz QGUATVMFDNHBQV-UHFFFAOYSA-N -1 3 391.391 1.977 20 50 GDGDHM C[C@H](CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735974877 944727305 /nfs/dbraw/zinc/72/73/05/944727305.db2.gz KKJQNCJIMISLTF-GFCCVEGCSA-N -1 3 398.398 1.726 20 50 GDGDHM C[C@@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)NC(=O)C1CCCCC1 ZINC000735976292 944730611 /nfs/dbraw/zinc/73/06/11/944730611.db2.gz PTCUDSPAZFBQMZ-LBPRGKRZSA-N -1 3 399.455 1.103 20 50 GDGDHM C[C@@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)NC(=O)C1CCCCC1 ZINC000735976292 944730619 /nfs/dbraw/zinc/73/06/19/944730619.db2.gz PTCUDSPAZFBQMZ-LBPRGKRZSA-N -1 3 399.455 1.103 20 50 GDGDHM CC(CS(=O)(=O)c1ccccc1)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736041571 944734473 /nfs/dbraw/zinc/73/44/73/944734473.db2.gz YBUMBRWEYYPUAB-UHFFFAOYSA-N -1 3 384.421 1.446 20 50 GDGDHM CC(CS(=O)(=O)c1ccccc1)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736041571 944734491 /nfs/dbraw/zinc/73/44/91/944734491.db2.gz YBUMBRWEYYPUAB-UHFFFAOYSA-N -1 3 384.421 1.446 20 50 GDGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000736117291 944743539 /nfs/dbraw/zinc/74/35/39/944743539.db2.gz JDIFMVNSKUDRLO-JTQLQIEISA-N -1 3 396.367 1.480 20 50 GDGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000736117291 944743551 /nfs/dbraw/zinc/74/35/51/944743551.db2.gz JDIFMVNSKUDRLO-JTQLQIEISA-N -1 3 396.367 1.480 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000736117295 944743689 /nfs/dbraw/zinc/74/36/89/944743689.db2.gz JDIFMVNSKUDRLO-SNVBAGLBSA-N -1 3 396.367 1.480 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000736117295 944743693 /nfs/dbraw/zinc/74/36/93/944743693.db2.gz JDIFMVNSKUDRLO-SNVBAGLBSA-N -1 3 396.367 1.480 20 50 GDGDHM C[C@H]1c2ccccc2CCN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736304590 944793771 /nfs/dbraw/zinc/79/37/71/944793771.db2.gz PMIXOSHGPTUFKI-LBPRGKRZSA-N -1 3 377.408 1.840 20 50 GDGDHM C[C@H]1c2ccccc2CCN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736304590 944793782 /nfs/dbraw/zinc/79/37/82/944793782.db2.gz PMIXOSHGPTUFKI-LBPRGKRZSA-N -1 3 377.408 1.840 20 50 GDGDHM CC[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736311942 944796698 /nfs/dbraw/zinc/79/66/98/944796698.db2.gz CPMLBTNPWSPDRF-ZFWWWQNUSA-N -1 3 394.435 1.975 20 50 GDGDHM CC[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736311942 944796703 /nfs/dbraw/zinc/79/67/03/944796703.db2.gz CPMLBTNPWSPDRF-ZFWWWQNUSA-N -1 3 394.435 1.975 20 50 GDGDHM CCCN(C[C@@H]1CCCCO1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736470524 944827877 /nfs/dbraw/zinc/82/78/77/944827877.db2.gz JZDBSMIBNHKFLI-HNNXBMFYSA-N -1 3 387.444 1.502 20 50 GDGDHM CCCN(C[C@@H]1CCCCO1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736470524 944827889 /nfs/dbraw/zinc/82/78/89/944827889.db2.gz JZDBSMIBNHKFLI-HNNXBMFYSA-N -1 3 387.444 1.502 20 50 GDGDHM CCCOc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736490778 944832632 /nfs/dbraw/zinc/83/26/32/944832632.db2.gz PRUAACPRWHSBDG-UHFFFAOYSA-N -1 3 396.411 1.195 20 50 GDGDHM CCCOc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736490778 944832639 /nfs/dbraw/zinc/83/26/39/944832639.db2.gz PRUAACPRWHSBDG-UHFFFAOYSA-N -1 3 396.411 1.195 20 50 GDGDHM CCOc1ccc([C@@H](C)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736638180 944860442 /nfs/dbraw/zinc/86/04/42/944860442.db2.gz 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COC(=O)[C@@H](NNC(=O)c1cccc(N(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900471 944909621 /nfs/dbraw/zinc/90/96/21/944909621.db2.gz YGWSOPZIQWBEEW-INIZCTEOSA-N -1 3 395.423 1.081 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)c1cccc(N(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900471 944909628 /nfs/dbraw/zinc/90/96/28/944909628.db2.gz YGWSOPZIQWBEEW-INIZCTEOSA-N -1 3 395.423 1.081 20 50 GDGDHM COCc1cc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000737015588 944933926 /nfs/dbraw/zinc/93/39/26/944933926.db2.gz DHNZCUSCHHJHBK-UHFFFAOYSA-N -1 3 399.386 1.296 20 50 GDGDHM COCc1cc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737015588 944933941 /nfs/dbraw/zinc/93/39/41/944933941.db2.gz DHNZCUSCHHJHBK-UHFFFAOYSA-N -1 3 399.386 1.296 20 50 GDGDHM COc1ccc(COCCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737098656 944959417 /nfs/dbraw/zinc/95/94/17/944959417.db2.gz XDBICOFHJGODBG-UHFFFAOYSA-N -1 3 396.407 1.243 20 50 GDGDHM COc1ccc(COCCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737098656 944959426 /nfs/dbraw/zinc/95/94/26/944959426.db2.gz XDBICOFHJGODBG-UHFFFAOYSA-N -1 3 396.407 1.243 20 50 GDGDHM COc1ccc(NC(=O)NNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737104997 944960003 /nfs/dbraw/zinc/96/00/03/944960003.db2.gz VHMKEKNAWBSSOO-UHFFFAOYSA-N -1 3 384.425 1.898 20 50 GDGDHM COc1ccc(NC(=O)NNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737104997 944960006 /nfs/dbraw/zinc/96/00/06/944960006.db2.gz VHMKEKNAWBSSOO-UHFFFAOYSA-N -1 3 384.425 1.898 20 50 GDGDHM COc1ccc(O[C@H](C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737107712 944960815 /nfs/dbraw/zinc/96/08/15/944960815.db2.gz GBBHSCKLFQCJRR-LLVKDONJSA-N -1 3 382.380 1.104 20 50 GDGDHM COc1ccc(O[C@H](C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737107712 944960820 /nfs/dbraw/zinc/96/08/20/944960820.db2.gz GBBHSCKLFQCJRR-LLVKDONJSA-N -1 3 382.380 1.104 20 50 GDGDHM COc1cccc([C@@H](C)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737126104 944962994 /nfs/dbraw/zinc/96/29/94/944962994.db2.gz LIBFLQTUGIEPKT-LLVKDONJSA-N -1 3 381.396 1.581 20 50 GDGDHM COc1cccc([C@@H](C)NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737126104 944962997 /nfs/dbraw/zinc/96/29/97/944962997.db2.gz LIBFLQTUGIEPKT-LLVKDONJSA-N -1 3 381.396 1.581 20 50 GDGDHM COc1cccc(C[C@@H](C)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737128471 944963871 /nfs/dbraw/zinc/96/38/71/944963871.db2.gz FKBFLOWKZQGMGY-GFCCVEGCSA-N -1 3 395.423 1.451 20 50 GDGDHM COc1cccc(C[C@@H](C)NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737128471 944963874 /nfs/dbraw/zinc/96/38/74/944963874.db2.gz FKBFLOWKZQGMGY-GFCCVEGCSA-N -1 3 395.423 1.451 20 50 GDGDHM COc1ccccc1CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737149397 944970852 /nfs/dbraw/zinc/97/08/52/944970852.db2.gz IDELJLXEOOODDA-UHFFFAOYSA-N -1 3 381.396 1.062 20 50 GDGDHM COc1ccccc1CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737149397 944970855 /nfs/dbraw/zinc/97/08/55/944970855.db2.gz IDELJLXEOOODDA-UHFFFAOYSA-N -1 3 381.396 1.062 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCCNc2ccccn2)cc(-c2nn[n-]n2)n1C ZINC000737213850 945008290 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GDGDHM Cc1ccc(OCC(=O)NNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737365103 945048357 /nfs/dbraw/zinc/04/83/57/945048357.db2.gz PPTYEPWSQQZSRM-UHFFFAOYSA-N -1 3 398.448 1.494 20 50 GDGDHM Cc1cccc([C@H](C)CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737389471 945054492 /nfs/dbraw/zinc/05/44/92/945054492.db2.gz OZMNROFFOYMVRZ-CYBMUJFWSA-N -1 3 379.424 1.923 20 50 GDGDHM Cc1cccc([C@H](C)CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737389471 945054503 /nfs/dbraw/zinc/05/45/03/945054503.db2.gz OZMNROFFOYMVRZ-CYBMUJFWSA-N -1 3 379.424 1.923 20 50 GDGDHM C[C@H](CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Oc1ccc(F)cc1 ZINC000820270266 945404479 /nfs/dbraw/zinc/40/44/79/945404479.db2.gz YUTBXXIVUDTWED-LLVKDONJSA-N -1 3 399.386 1.417 20 50 GDGDHM C[C@H](CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Oc1ccc(F)cc1 ZINC000820270266 945404487 /nfs/dbraw/zinc/40/44/87/945404487.db2.gz YUTBXXIVUDTWED-LLVKDONJSA-N -1 3 399.386 1.417 20 50 GDGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H]2CCCO[C@@H]21 ZINC000820585890 945492437 /nfs/dbraw/zinc/49/24/37/945492437.db2.gz RAQPCGGNOMSDJU-MJBXVCDLSA-N -1 3 385.428 1.014 20 50 GDGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H]2CCCO[C@@H]21 ZINC000820585890 945492443 /nfs/dbraw/zinc/49/24/43/945492443.db2.gz RAQPCGGNOMSDJU-MJBXVCDLSA-N -1 3 385.428 1.014 20 50 GDGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000820752531 945551065 /nfs/dbraw/zinc/55/10/65/945551065.db2.gz OBNJLUKVHADIQN-ACJLOTCBSA-N -1 3 391.435 1.321 20 50 GDGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000820752531 945551070 /nfs/dbraw/zinc/55/10/70/945551070.db2.gz OBNJLUKVHADIQN-ACJLOTCBSA-N -1 3 391.435 1.321 20 50 GDGDHM CCC(CC)(CC)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820882385 945582521 /nfs/dbraw/zinc/58/25/21/945582521.db2.gz QJTMVMZTQCFDEH-UHFFFAOYSA-N -1 3 388.428 1.387 20 50 GDGDHM CCC(CC)(CC)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820882385 945582530 /nfs/dbraw/zinc/58/25/30/945582530.db2.gz QJTMVMZTQCFDEH-UHFFFAOYSA-N -1 3 388.428 1.387 20 50 GDGDHM CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820937984 945592395 /nfs/dbraw/zinc/59/23/95/945592395.db2.gz GDSJDXVGNRHVJU-AWEZNQCLSA-N -1 3 384.371 1.624 20 50 GDGDHM CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820937984 945592399 /nfs/dbraw/zinc/59/23/99/945592399.db2.gz GDSJDXVGNRHVJU-AWEZNQCLSA-N -1 3 384.371 1.624 20 50 GDGDHM CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821014187 945610949 /nfs/dbraw/zinc/61/09/49/945610949.db2.gz BQNVAOJIDIRCJQ-YBJNZTIASA-N -1 3 399.455 1.657 20 50 GDGDHM CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821014187 945610956 /nfs/dbraw/zinc/61/09/56/945610956.db2.gz BQNVAOJIDIRCJQ-YBJNZTIASA-N -1 3 399.455 1.657 20 50 GDGDHM CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821014182 945612393 /nfs/dbraw/zinc/61/23/93/945612393.db2.gz BQNVAOJIDIRCJQ-AMUVPKJUSA-N -1 3 399.455 1.657 20 50 GDGDHM CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821014182 945612400 /nfs/dbraw/zinc/61/24/00/945612400.db2.gz BQNVAOJIDIRCJQ-AMUVPKJUSA-N -1 3 399.455 1.657 20 50 GDGDHM CCCC1(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000821027147 945616586 /nfs/dbraw/zinc/61/65/86/945616586.db2.gz KUFJTPVGFBCSJN-UHFFFAOYSA-N -1 3 386.412 1.141 20 50 GDGDHM CCCC1(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000821027147 945616589 /nfs/dbraw/zinc/61/65/89/945616589.db2.gz KUFJTPVGFBCSJN-UHFFFAOYSA-N -1 3 386.412 1.141 20 50 GDGDHM CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C12CCC2 ZINC000821359331 945679383 /nfs/dbraw/zinc/67/93/83/945679383.db2.gz NOQSEPCUARRLBH-ZIAGYGMSSA-N -1 3 385.428 1.158 20 50 GDGDHM CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C12CCC2 ZINC000821359331 945679387 /nfs/dbraw/zinc/67/93/87/945679387.db2.gz NOQSEPCUARRLBH-ZIAGYGMSSA-N -1 3 385.428 1.158 20 50 GDGDHM CCO[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C12CCC2 ZINC000821358526 945679630 /nfs/dbraw/zinc/67/96/30/945679630.db2.gz JLTMMWDTLMQCHH-KBPBESRZSA-N -1 3 385.428 1.158 20 50 GDGDHM CCO[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C12CCC2 ZINC000821358526 945679640 /nfs/dbraw/zinc/67/96/40/945679640.db2.gz JLTMMWDTLMQCHH-KBPBESRZSA-N -1 3 385.428 1.158 20 50 GDGDHM CCS[C@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821455432 945699755 /nfs/dbraw/zinc/69/97/55/945699755.db2.gz KHAYKATZTNDFSF-KBPBESRZSA-N -1 3 389.485 1.875 20 50 GDGDHM CCS[C@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821455432 945699763 /nfs/dbraw/zinc/69/97/63/945699763.db2.gz KHAYKATZTNDFSF-KBPBESRZSA-N -1 3 389.485 1.875 20 50 GDGDHM CCc1ccccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821491914 945706813 /nfs/dbraw/zinc/70/68/13/945706813.db2.gz CEQNXYGWNVVPMC-UHFFFAOYSA-N -1 3 394.391 1.047 20 50 GDGDHM CCc1ccccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821491914 945706819 /nfs/dbraw/zinc/70/68/19/945706819.db2.gz CEQNXYGWNVVPMC-UHFFFAOYSA-N -1 3 394.391 1.047 20 50 GDGDHM CCc1ccc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821487500 945706923 /nfs/dbraw/zinc/70/69/23/945706923.db2.gz VDBYJEDTSPIAAK-UHFFFAOYSA-N -1 3 393.451 1.322 20 50 GDGDHM CCc1ccc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821487500 945706929 /nfs/dbraw/zinc/70/69/29/945706929.db2.gz VDBYJEDTSPIAAK-UHFFFAOYSA-N -1 3 393.451 1.322 20 50 GDGDHM CN(C)c1ccc(NC(=O)NNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821589555 945730062 /nfs/dbraw/zinc/73/00/62/945730062.db2.gz SQPDOLRVMCDPNG-UHFFFAOYSA-N -1 3 381.400 1.791 20 50 GDGDHM CN(C)c1ccc(NC(=O)NNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821589555 945730072 /nfs/dbraw/zinc/73/00/72/945730072.db2.gz SQPDOLRVMCDPNG-UHFFFAOYSA-N -1 3 381.400 1.791 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)c1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821644967 945769559 /nfs/dbraw/zinc/76/95/59/945769559.db2.gz NPNIGVZQAJQKRN-INIZCTEOSA-N -1 3 392.375 1.762 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)c1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821644967 945769571 /nfs/dbraw/zinc/76/95/71/945769571.db2.gz NPNIGVZQAJQKRN-INIZCTEOSA-N -1 3 392.375 1.762 20 50 GDGDHM COC(=O)c1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)s1 ZINC000821669327 945790371 /nfs/dbraw/zinc/79/03/71/945790371.db2.gz GUAQYKUAFZQFLG-WDZFZDKYSA-N -1 3 397.420 1.907 20 50 GDGDHM COC(=O)c1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)s1 ZINC000821669327 945790379 /nfs/dbraw/zinc/79/03/79/945790379.db2.gz GUAQYKUAFZQFLG-WDZFZDKYSA-N -1 3 397.420 1.907 20 50 GDGDHM COc1ccc(C(C)(C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821772667 945858373 /nfs/dbraw/zinc/85/83/73/945858373.db2.gz KMLOTPZVWSXNDG-UHFFFAOYSA-N -1 3 380.408 1.614 20 50 GDGDHM COc1ccc(C(C)(C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821772667 945858384 /nfs/dbraw/zinc/85/83/84/945858384.db2.gz KMLOTPZVWSXNDG-UHFFFAOYSA-N -1 3 380.408 1.614 20 50 GDGDHM COc1ccc(O[C@@H](C)CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821837144 945881555 /nfs/dbraw/zinc/88/15/55/945881555.db2.gz AEALEOBXRBQMCL-LBPRGKRZSA-N -1 3 383.412 1.969 20 50 GDGDHM COc1ccc(O[C@@H](C)CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821837144 945881570 /nfs/dbraw/zinc/88/15/70/945881570.db2.gz AEALEOBXRBQMCL-LBPRGKRZSA-N -1 3 383.412 1.969 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)CCC(=O)OC(C)(C)C)cc(-c2nnn[n-]2)n1C ZINC000822020447 945923111 /nfs/dbraw/zinc/92/31/11/945923111.db2.gz CNUIZIAOTYKAQP-NTEUORMPSA-N -1 3 399.455 1.611 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)CCC(=O)OC(C)(C)C)cc(-c2nn[n-]n2)n1C ZINC000822020447 945923120 /nfs/dbraw/zinc/92/31/20/945923120.db2.gz CNUIZIAOTYKAQP-NTEUORMPSA-N -1 3 399.455 1.611 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@]3(CCCOC3)C2)cc(-c2nnn[n-]2)n1C ZINC000822028550 945943878 /nfs/dbraw/zinc/94/38/78/945943878.db2.gz PODCEICBKNXEOS-RIMDVYMRSA-N -1 3 395.467 1.840 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@]3(CCCOC3)C2)cc(-c2nn[n-]n2)n1C ZINC000822028550 945943883 /nfs/dbraw/zinc/94/38/83/945943883.db2.gz PODCEICBKNXEOS-RIMDVYMRSA-N -1 3 395.467 1.840 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)c2ccco2)cc(-c2nnn[n-]2)n1C ZINC000822028770 945945871 /nfs/dbraw/zinc/94/58/71/945945871.db2.gz SAEZTGLFHDXATO-MEVIEEELSA-N -1 3 381.396 1.038 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)c2ccco2)cc(-c2nn[n-]n2)n1C ZINC000822028770 945945881 /nfs/dbraw/zinc/94/58/81/945945881.db2.gz SAEZTGLFHDXATO-MEVIEEELSA-N -1 3 381.396 1.038 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](CCO)CC(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029493 945958716 /nfs/dbraw/zinc/95/87/16/945958716.db2.gz ZYOQJDQDOLAITO-UVYNJXETSA-N -1 3 385.472 1.582 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](CCO)CC(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029493 945958727 /nfs/dbraw/zinc/95/87/27/945958727.db2.gz ZYOQJDQDOLAITO-UVYNJXETSA-N -1 3 385.472 1.582 20 50 GDGDHM Cc1cc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[nH]n3)cc2)c(F)cc1F ZINC000822177310 945971375 /nfs/dbraw/zinc/97/13/75/945971375.db2.gz XHKXKMSMQUHETQ-UHFFFAOYSA-N -1 3 388.334 1.293 20 50 GDGDHM Cc1cc(C)cc(CCC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822196227 945979107 /nfs/dbraw/zinc/97/91/07/945979107.db2.gz AMXPORFWFVUBCO-UHFFFAOYSA-N -1 3 394.435 1.643 20 50 GDGDHM Cc1ccc(CC[C@@H](C)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822235206 946019251 /nfs/dbraw/zinc/01/92/51/946019251.db2.gz XHQQKPRULYFXSN-LLVKDONJSA-N -1 3 383.412 1.733 20 50 GDGDHM Cc1ccc(CC[C@@H](C)NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822235206 946019262 /nfs/dbraw/zinc/01/92/62/946019262.db2.gz XHQQKPRULYFXSN-LLVKDONJSA-N -1 3 383.412 1.733 20 50 GDGDHM Cc1ccc(O[C@H](C)CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822258975 946032543 /nfs/dbraw/zinc/03/25/43/946032543.db2.gz HXRWRTUJCMXBKR-CYBMUJFWSA-N -1 3 395.423 1.587 20 50 GDGDHM Cc1ccc(O[C@H](C)CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822258975 946032558 /nfs/dbraw/zinc/03/25/58/946032558.db2.gz HXRWRTUJCMXBKR-CYBMUJFWSA-N -1 3 395.423 1.587 20 50 GDGDHM Cn1c2ccccc2nc1SCC(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822605112 946136658 /nfs/dbraw/zinc/13/66/58/946136658.db2.gz ZCLKXBQKIJCNSE-UHFFFAOYSA-N -1 3 392.448 1.996 20 50 GDGDHM Cn1c2ccccc2nc1SCC(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822605112 946136663 /nfs/dbraw/zinc/13/66/63/946136663.db2.gz ZCLKXBQKIJCNSE-UHFFFAOYSA-N -1 3 392.448 1.996 20 50 GDGDHM Nc1cc(C(=O)NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc([N+](=O)[O-])c1 ZINC000822907615 946215805 /nfs/dbraw/zinc/21/58/05/946215805.db2.gz VNHJANOBZJQQOL-UHFFFAOYSA-N -1 3 391.351 1.602 20 50 GDGDHM Nc1cc(C(=O)NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc([N+](=O)[O-])c1 ZINC000822907615 946215816 /nfs/dbraw/zinc/21/58/16/946215816.db2.gz VNHJANOBZJQQOL-UHFFFAOYSA-N -1 3 391.351 1.602 20 50 GDGDHM O=C(CC=Cc1ccc(F)cc1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822945629 946227353 /nfs/dbraw/zinc/22/73/53/946227353.db2.gz LWQMLHQOSURSPY-OWOJBTEDSA-N -1 3 396.382 1.636 20 50 GDGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000823049312 946293948 /nfs/dbraw/zinc/29/39/48/946293948.db2.gz 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GDGDHM COc1ccc(OCCCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737109892 944962045 /nfs/dbraw/zinc/96/20/45/944962045.db2.gz OUFDDPWVPLQIMF-UHFFFAOYSA-N -1 3 396.407 1.496 20 50 GDGDHM COc1cccc(CN(C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737130995 944964371 /nfs/dbraw/zinc/96/43/71/944964371.db2.gz LLHXUYJGPGNFQP-UHFFFAOYSA-N -1 3 381.396 1.362 20 50 GDGDHM COc1cccc(CN(C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737130995 944964377 /nfs/dbraw/zinc/96/43/77/944964377.db2.gz LLHXUYJGPGNFQP-UHFFFAOYSA-N -1 3 381.396 1.362 20 50 GDGDHM COc1ccccc1C(=O)NNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737139109 944966085 /nfs/dbraw/zinc/96/60/85/944966085.db2.gz STDFFSYNQWGUIK-UHFFFAOYSA-N -1 3 381.396 1.362 20 50 GDGDHM COc1ccccc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737138229 944966289 /nfs/dbraw/zinc/96/62/89/944966289.db2.gz LULGJKZAXOSGAE-LLVKDONJSA-N -1 3 382.380 1.104 20 50 GDGDHM COc1ccccc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737138229 944966294 /nfs/dbraw/zinc/96/62/94/944966294.db2.gz LULGJKZAXOSGAE-LLVKDONJSA-N -1 3 382.380 1.104 20 50 GDGDHM CSc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737190591 944980946 /nfs/dbraw/zinc/98/09/46/944980946.db2.gz NXKIUVQOIJEWFH-UHFFFAOYSA-N -1 3 383.437 1.733 20 50 GDGDHM CSc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737190591 944980950 /nfs/dbraw/zinc/98/09/50/944980950.db2.gz NXKIUVQOIJEWFH-UHFFFAOYSA-N -1 3 383.437 1.733 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(C#N)cc2F)cc(-c2nnn[n-]2)n1C ZINC000737211088 944984914 /nfs/dbraw/zinc/98/49/14/944984914.db2.gz AMYVPFUAIZFWFP-GIDUJCDVSA-N -1 3 390.382 1.748 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(C#N)cc2F)cc(-c2nn[n-]n2)n1C ZINC000737211088 944984920 /nfs/dbraw/zinc/98/49/20/944984920.db2.gz AMYVPFUAIZFWFP-GIDUJCDVSA-N -1 3 390.382 1.748 20 50 GDGDHM Cc1cc(C(=O)NNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000737236301 945017102 /nfs/dbraw/zinc/01/71/02/945017102.db2.gz HOIBXBLKUCUTJJ-INIZCTEOSA-N -1 3 395.423 1.507 20 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945029750 /nfs/dbraw/zinc/02/97/50/945029750.db2.gz OKWBSEIVVNOZOO-UHFFFAOYSA-N -1 3 375.392 1.591 20 50 GDGDHM Cc1ccc(C(C)(C)C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737318574 945036932 /nfs/dbraw/zinc/03/69/32/945036932.db2.gz WIDXKTDXMAVWQN-UHFFFAOYSA-N -1 3 394.435 1.679 20 50 GDGDHM Cc1ccccc1C(=O)NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737415210 945061191 /nfs/dbraw/zinc/06/11/91/945061191.db2.gz MMLMGOYNSFKXQH-QGZVFWFLSA-N -1 3 391.435 1.605 20 50 GDGDHM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820563280 945485682 /nfs/dbraw/zinc/48/56/82/945485682.db2.gz PLKBWDBMNYARNZ-CWTRNNRKSA-N -1 3 380.408 1.182 20 50 GDGDHM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820563280 945485686 /nfs/dbraw/zinc/48/56/86/945485686.db2.gz PLKBWDBMNYARNZ-CWTRNNRKSA-N -1 3 380.408 1.182 20 50 GDGDHM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820736321 945542059 /nfs/dbraw/zinc/54/20/59/945542059.db2.gz 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CCC1(CC)[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1OC ZINC000820958459 945598742 /nfs/dbraw/zinc/59/87/42/945598742.db2.gz VNSVLPUFCBUURD-KBPBESRZSA-N -1 3 387.444 1.404 20 50 GDGDHM CCC1(CC)[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1OC ZINC000820958459 945598748 /nfs/dbraw/zinc/59/87/48/945598748.db2.gz VNSVLPUFCBUURD-KBPBESRZSA-N -1 3 387.444 1.404 20 50 GDGDHM CCCCOC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821072100 945630354 /nfs/dbraw/zinc/63/03/54/945630354.db2.gz QWNCBLYITJMDTR-ACLQVGRQSA-N -1 3 386.412 1.696 20 50 GDGDHM CCCCOC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821072100 945630357 /nfs/dbraw/zinc/63/03/57/945630357.db2.gz QWNCBLYITJMDTR-ACLQVGRQSA-N -1 3 386.412 1.696 20 50 GDGDHM CCCOc1cccc(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821134205 945640417 /nfs/dbraw/zinc/64/04/17/945640417.db2.gz NZJSOXCXVOVYCM-UHFFFAOYSA-N -1 3 380.408 1.659 20 50 GDGDHM CCCOc1cccc(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821134205 945640421 /nfs/dbraw/zinc/64/04/21/945640421.db2.gz NZJSOXCXVOVYCM-UHFFFAOYSA-N -1 3 380.408 1.659 20 50 GDGDHM CCOC(=O)NCCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821334571 945673041 /nfs/dbraw/zinc/67/30/41/945673041.db2.gz OGJMXBJTFDKWCA-UHFFFAOYSA-N -1 3 387.322 1.465 20 50 GDGDHM CCOC(=O)NCCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821334571 945673046 /nfs/dbraw/zinc/67/30/46/945673046.db2.gz OGJMXBJTFDKWCA-UHFFFAOYSA-N -1 3 387.322 1.465 20 50 GDGDHM CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C12CCC2 ZINC000821358527 945679784 /nfs/dbraw/zinc/67/97/84/945679784.db2.gz JLTMMWDTLMQCHH-KGLIPLIRSA-N -1 3 385.428 1.158 20 50 GDGDHM CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C12CCC2 ZINC000821358527 945679794 /nfs/dbraw/zinc/67/97/94/945679794.db2.gz JLTMMWDTLMQCHH-KGLIPLIRSA-N -1 3 385.428 1.158 20 50 GDGDHM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821448377 945697054 /nfs/dbraw/zinc/69/70/54/945697054.db2.gz NJONKBIMLIJASY-NVIBNEEGSA-N -1 3 377.474 1.573 20 50 GDGDHM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821448377 945697059 /nfs/dbraw/zinc/69/70/59/945697059.db2.gz NJONKBIMLIJASY-NVIBNEEGSA-N -1 3 377.474 1.573 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)CCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645073 945770536 /nfs/dbraw/zinc/77/05/36/945770536.db2.gz QEQHWZCQUZOTIF-SFHVURJKSA-N -1 3 394.435 1.725 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)CCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645073 945770541 /nfs/dbraw/zinc/77/05/41/945770541.db2.gz QEQHWZCQUZOTIF-SFHVURJKSA-N -1 3 394.435 1.725 20 50 GDGDHM COC(=O)c1cc(OC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1[N+](=O)[O-] ZINC000821667850 945788862 /nfs/dbraw/zinc/78/88/62/945788862.db2.gz CQEWDRGGLBHMFT-UHFFFAOYSA-N -1 3 375.322 1.842 20 50 GDGDHM COC(=O)c1cc(OC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1[N+](=O)[O-] ZINC000821667850 945788870 /nfs/dbraw/zinc/78/88/70/945788870.db2.gz CQEWDRGGLBHMFT-UHFFFAOYSA-N -1 3 375.322 1.842 20 50 GDGDHM 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1.741 20 50 GDGDHM O=C(NNc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826447824 608141253 /nfs/dbraw/zinc/14/12/53/608141253.db2.gz XUDWMJCCMNQTKO-UHFFFAOYSA-N -1 3 375.751 1.741 20 50 GDGDHM Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1C ZINC000826232620 608158248 /nfs/dbraw/zinc/15/82/48/608158248.db2.gz AIUBZIQGICQUQZ-UHFFFAOYSA-N -1 3 376.384 1.421 20 50 GDGDHM Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1C ZINC000826232620 608158251 /nfs/dbraw/zinc/15/82/51/608158251.db2.gz AIUBZIQGICQUQZ-UHFFFAOYSA-N -1 3 376.384 1.421 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc(-c2nnn[n-]2)n1C ZINC000826235881 609297330 /nfs/dbraw/zinc/29/73/30/609297330.db2.gz UASVTVQDCGTWJG-IBVYMYGYSA-N -1 3 397.483 1.676 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc(-c2nn[n-]n2)n1C ZINC000826235881 609297332 /nfs/dbraw/zinc/29/73/32/609297332.db2.gz UASVTVQDCGTWJG-IBVYMYGYSA-N -1 3 397.483 1.676 20 50 GDGDHM COC[C@@H](C)NC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826148637 609302729 /nfs/dbraw/zinc/30/27/29/609302729.db2.gz NCISIECZYCQKSG-PWDRSIHYSA-N -1 3 392.423 1.325 20 50 GDGDHM COC[C@@H](C)NC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826148637 609302731 /nfs/dbraw/zinc/30/27/31/609302731.db2.gz NCISIECZYCQKSG-PWDRSIHYSA-N -1 3 392.423 1.325 20 50 GDGDHM CC(=O)Nc1ccc(C(C)=NNC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000824000140 609372183 /nfs/dbraw/zinc/37/21/83/609372183.db2.gz WFQLDGBLNKPVBR-UHFFFAOYSA-N -1 3 393.407 1.744 20 50 GDGDHM CC(=O)Nc1ccc(C(C)=NNC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000824000140 609372185 /nfs/dbraw/zinc/37/21/85/609372185.db2.gz WFQLDGBLNKPVBR-UHFFFAOYSA-N -1 3 393.407 1.744 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NN2Cc3ccccc3C2=O)cc(-c2nn[n-]n2)n1C ZINC000826235439 609427681 /nfs/dbraw/zinc/42/76/81/609427681.db2.gz JZCJXXSZUAYCEU-AUWJEWJLSA-N -1 3 388.391 1.108 20 50 GDGDHM N#CC(=Cc1cnc2ccc(-c3nnn[n-]3)cn12)C(=O)NCCc1ccccc1 ZINC000737670486 945108855 /nfs/dbraw/zinc/10/88/55/945108855.db2.gz CCSSCUQULYEJOP-MHWRWJLKSA-N -1 3 384.403 1.780 20 50 GDGDHM N#CC(=Cc1cnc2ccc(-c3nn[n-]n3)cn12)C(=O)NCCc1ccccc1 ZINC000737670486 945108859 /nfs/dbraw/zinc/10/88/59/945108859.db2.gz CCSSCUQULYEJOP-MHWRWJLKSA-N -1 3 384.403 1.780 20 50 GDGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNc2ccc(F)cc2)cc1 ZINC000737775838 945124133 /nfs/dbraw/zinc/12/41/33/945124133.db2.gz FWCXLBNFKSGLIC-UHFFFAOYSA-N -1 3 379.359 1.531 20 50 GDGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNc2ccc(F)cc2)cc1 ZINC000737775838 945124139 /nfs/dbraw/zinc/12/41/39/945124139.db2.gz FWCXLBNFKSGLIC-UHFFFAOYSA-N -1 3 379.359 1.531 20 50 GDGDHM O=C(C=CSc1ccccc1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737795824 945125932 /nfs/dbraw/zinc/12/59/32/945125932.db2.gz MCJHWBFOWQDGNY-ZHACJKMWSA-N -1 3 396.432 1.699 20 50 GDGDHM O=C(C[C@@H]1CCc2ccccc2C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737818209 945131646 /nfs/dbraw/zinc/13/16/46/945131646.db2.gz GOSYBFNZEVMDTF-CYBMUJFWSA-N -1 3 376.420 1.823 20 50 GDGDHM O=C(C[C@@H]1CCc2ccccc2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737818209 945131650 /nfs/dbraw/zinc/13/16/50/945131650.db2.gz GOSYBFNZEVMDTF-CYBMUJFWSA-N -1 3 376.420 1.823 20 50 GDGDHM O=C(COc1ccc(F)c(Cl)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737919833 945153677 /nfs/dbraw/zinc/15/36/77/945153677.db2.gz LIQARELDDFBXIR-UHFFFAOYSA-N -1 3 390.762 1.499 20 50 GDGDHM O=C(COc1ccc(F)c(Cl)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737919833 945153682 /nfs/dbraw/zinc/15/36/82/945153682.db2.gz LIQARELDDFBXIR-UHFFFAOYSA-N -1 3 390.762 1.499 20 50 GDGDHM O=C(CSCC(=O)c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737932030 945160310 /nfs/dbraw/zinc/16/03/10/945160310.db2.gz IQWJFBGASMEYLA-UHFFFAOYSA-N -1 3 396.432 1.244 20 50 GDGDHM O=C(CSCC(=O)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737932030 945160316 /nfs/dbraw/zinc/16/03/16/945160316.db2.gz IQWJFBGASMEYLA-UHFFFAOYSA-N -1 3 396.432 1.244 20 50 GDGDHM O=C(Cc1ccc(Cl)cc1)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737955844 945165953 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O=C(NCCCCc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738055451 945180473 /nfs/dbraw/zinc/18/04/73/945180473.db2.gz YXPOUFLWTMJXBV-UHFFFAOYSA-N -1 3 379.424 1.834 20 50 GDGDHM O=C(NCCCCc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738055451 945180482 /nfs/dbraw/zinc/18/04/82/945180482.db2.gz YXPOUFLWTMJXBV-UHFFFAOYSA-N -1 3 379.424 1.834 20 50 GDGDHM O=C(NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)NC1CCCCC1 ZINC000738129380 945201220 /nfs/dbraw/zinc/20/12/20/945201220.db2.gz AJHQEOMTXBSKJO-INIZCTEOSA-N -1 3 398.471 1.499 20 50 GDGDHM O=C(NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc([N+](=O)[O-])cc1 ZINC000738130262 945208715 /nfs/dbraw/zinc/20/87/15/945208715.db2.gz ORFDFNGAAJXESZ-UHFFFAOYSA-N -1 3 377.324 1.187 20 50 GDGDHM O=C(NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc([N+](=O)[O-])cc1 ZINC000738130262 945208721 /nfs/dbraw/zinc/20/87/21/945208721.db2.gz ORFDFNGAAJXESZ-UHFFFAOYSA-N -1 3 377.324 1.187 20 50 GDGDHM O=C(NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130790 945211461 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20 50 GDGDHM O=C(NNc1ncccn1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738137862 945248753 /nfs/dbraw/zinc/24/87/53/945248753.db2.gz TUGDAUOLVJIOKM-UHFFFAOYSA-N -1 3 378.352 1.586 20 50 GDGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1ccc(F)cc1 ZINC000820001409 945324468 /nfs/dbraw/zinc/32/44/68/945324468.db2.gz LFJJTKICGQICKE-UHFFFAOYSA-N -1 3 398.398 1.553 20 50 GDGDHM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820044359 945336498 /nfs/dbraw/zinc/33/64/98/945336498.db2.gz GEKYCGFDFSHCLK-CABCVRRESA-N -1 3 387.444 1.262 20 50 GDGDHM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820044359 945336509 /nfs/dbraw/zinc/33/65/09/945336509.db2.gz GEKYCGFDFSHCLK-CABCVRRESA-N -1 3 387.444 1.262 20 50 GDGDHM CC(C)NC(=O)NNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735888271 944711784 /nfs/dbraw/zinc/71/17/84/944711784.db2.gz JZUHAZVTAPUNFD-UHFFFAOYSA-N -1 3 380.412 1.963 20 50 GDGDHM CC[C@H](C(=O)NNC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736312653 944796451 /nfs/dbraw/zinc/79/64/51/944796451.db2.gz JEHUZJRJEPIEHQ-INIZCTEOSA-N -1 3 379.424 1.620 20 50 GDGDHM CC[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1OC ZINC000736363485 944811237 /nfs/dbraw/zinc/81/12/37/944811237.db2.gz OVQVAJRUUCHKFL-HNNXBMFYSA-N -1 3 395.423 1.971 20 50 GDGDHM CC[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1OC ZINC000736363485 944811242 /nfs/dbraw/zinc/81/12/42/944811242.db2.gz OVQVAJRUUCHKFL-HNNXBMFYSA-N -1 3 395.423 1.971 20 50 GDGDHM CC[C@@H]1CCC[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736397782 944813414 /nfs/dbraw/zinc/81/34/14/944813414.db2.gz XMFWIXIZBBXZLH-OCCSQVGLSA-N -1 3 387.444 1.545 20 50 GDGDHM CCOCCOc1ccccc1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736627339 944859089 /nfs/dbraw/zinc/85/90/89/944859089.db2.gz TYTVEUDSWAQCME-UHFFFAOYSA-N -1 3 396.407 1.357 20 50 GDGDHM CCOCCOc1ccccc1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736627339 944859095 /nfs/dbraw/zinc/85/90/95/944859095.db2.gz TYTVEUDSWAQCME-UHFFFAOYSA-N -1 3 396.407 1.357 20 50 GDGDHM CCc1ccccc1OCC(=O)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736702289 944872908 /nfs/dbraw/zinc/87/29/08/944872908.db2.gz OFBOFDUSJIGANO-UHFFFAOYSA-N -1 3 390.407 1.606 20 50 GDGDHM CCc1ccccc1OCC(=O)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736702289 944872915 /nfs/dbraw/zinc/87/29/15/944872915.db2.gz OFBOFDUSJIGANO-UHFFFAOYSA-N -1 3 390.407 1.606 20 50 GDGDHM COc1ccc(C(=O)NNC(=O)NCc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000737066145 944942928 /nfs/dbraw/zinc/94/29/28/944942928.db2.gz DPWVKNWPKCGYSH-UHFFFAOYSA-N -1 3 397.395 1.028 20 50 GDGDHM COc1ccc(SCCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737117475 944962351 /nfs/dbraw/zinc/96/23/51/944962351.db2.gz WJRRDRXAFWJJMQ-UHFFFAOYSA-N -1 3 398.448 1.819 20 50 GDGDHM COc1ccc(SCCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737117475 944962358 /nfs/dbraw/zinc/96/23/58/944962358.db2.gz WJRRDRXAFWJJMQ-UHFFFAOYSA-N -1 3 398.448 1.819 20 50 GDGDHM CSc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737189326 944979547 /nfs/dbraw/zinc/97/95/47/944979547.db2.gz FGSYOXKDRNSNBD-NSHDSACASA-N -1 3 398.448 1.817 20 50 GDGDHM CSc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737189326 944979556 /nfs/dbraw/zinc/97/95/56/944979556.db2.gz FGSYOXKDRNSNBD-NSHDSACASA-N -1 3 398.448 1.817 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](C3OCCO3)C2)cc(-c2nnn[n-]2)n1C ZINC000737211577 944986773 /nfs/dbraw/zinc/98/67/73/944986773.db2.gz DDELLBNIFGAKFK-LIOBOASVSA-N -1 3 397.439 1.032 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](C3OCCO3)C2)cc(-c2nn[n-]n2)n1C ZINC000737211577 944986778 /nfs/dbraw/zinc/98/67/78/944986778.db2.gz DDELLBNIFGAKFK-LIOBOASVSA-N -1 3 397.439 1.032 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc(-c2nnn[n-]2)n1C ZINC000737212432 944993265 /nfs/dbraw/zinc/99/32/65/944993265.db2.gz JEOAWOYXUBEXGR-LDPZUGJDSA-N -1 3 381.440 1.350 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc(-c2nn[n-]n2)n1C ZINC000737212432 944993269 /nfs/dbraw/zinc/99/32/69/944993269.db2.gz JEOAWOYXUBEXGR-LDPZUGJDSA-N -1 3 381.440 1.350 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCCNc2ccccn2)cc(-c2nn[n-]n2)n1C ZINC000737213849 945009214 /nfs/dbraw/zinc/00/92/14/945009214.db2.gz XRWOCIPYFIZBAK-GDNBJRDFSA-N -1 3 391.439 1.434 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(-c2nnn[n-]2)n1C ZINC000737245529 945020823 /nfs/dbraw/zinc/02/08/23/945020823.db2.gz DZQWJPVGSWUQHP-NSIKDUERSA-N -1 3 392.423 1.454 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(-c2nn[n-]n2)n1C ZINC000737245529 945020834 /nfs/dbraw/zinc/02/08/34/945020834.db2.gz DZQWJPVGSWUQHP-NSIKDUERSA-N -1 3 392.423 1.454 20 50 GDGDHM Cc1cc(C)n(CCOC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000737256127 945022371 /nfs/dbraw/zinc/02/23/71/945022371.db2.gz GWGZHKOEBMCJOE-NVNXTCNLSA-N -1 3 380.412 1.477 20 50 GDGDHM Cc1cc(C)n(CCOC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000737256127 945022379 /nfs/dbraw/zinc/02/23/79/945022379.db2.gz GWGZHKOEBMCJOE-NVNXTCNLSA-N -1 3 380.412 1.477 20 50 GDGDHM Cc1ccc([C@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737329521 945039893 /nfs/dbraw/zinc/03/98/93/945039893.db2.gz GXSHSSGFVDGNGA-OAHLLOKOSA-N -1 3 395.423 1.366 20 50 GDGDHM Cc1ccc([C@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737329521 945039905 /nfs/dbraw/zinc/03/99/05/945039905.db2.gz GXSHSSGFVDGNGA-OAHLLOKOSA-N -1 3 395.423 1.366 20 50 GDGDHM Cc1ccc(C)c(OCCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737326910 945039967 /nfs/dbraw/zinc/03/99/67/945039967.db2.gz UNTMGEJEIYRDGB-UHFFFAOYSA-N -1 3 380.408 1.714 20 50 GDGDHM Cc1ccc(C)c(OCCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737326910 945039976 /nfs/dbraw/zinc/03/99/76/945039976.db2.gz UNTMGEJEIYRDGB-UHFFFAOYSA-N -1 3 380.408 1.714 20 50 GDGDHM Cc1ccc(NCC(=O)NNC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737361582 945048779 /nfs/dbraw/zinc/04/87/79/945048779.db2.gz KKFLQQOQUXOZJJ-ZDUSSCGKSA-N -1 3 395.423 1.202 20 50 GDGDHM Cc1ccc(NCC(=O)NNC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737361582 945048788 /nfs/dbraw/zinc/04/87/88/945048788.db2.gz KKFLQQOQUXOZJJ-ZDUSSCGKSA-N -1 3 395.423 1.202 20 50 GDGDHM Cc1ccc(OC[C@H](C)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737364919 945048877 /nfs/dbraw/zinc/04/88/77/945048877.db2.gz HTSJOTRXQPEJJA-ZDUSSCGKSA-N -1 3 395.423 1.587 20 50 GDGDHM Cc1ccc(OC[C@H](C)NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737364919 945048889 /nfs/dbraw/zinc/04/88/89/945048889.db2.gz HTSJOTRXQPEJJA-ZDUSSCGKSA-N -1 3 395.423 1.587 20 50 GDGDHM C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820295165 945409248 /nfs/dbraw/zinc/40/92/48/945409248.db2.gz ZRARBYNGCILXRJ-ZETCQYMHSA-N -1 3 392.363 1.009 20 50 GDGDHM C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820295165 945409256 /nfs/dbraw/zinc/40/92/56/945409256.db2.gz ZRARBYNGCILXRJ-ZETCQYMHSA-N -1 3 392.363 1.009 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000820372563 945431925 /nfs/dbraw/zinc/43/19/25/945431925.db2.gz ASDUMLDDYCJUAC-LLVKDONJSA-N -1 3 376.380 1.444 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000820372563 945431931 /nfs/dbraw/zinc/43/19/31/945431931.db2.gz ASDUMLDDYCJUAC-LLVKDONJSA-N -1 3 376.380 1.444 20 50 GDGDHM CCC(CC)(CCO)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000820887477 945584608 /nfs/dbraw/zinc/58/46/08/945584608.db2.gz DVCKYYIDNPPAKI-OQLLNIDSSA-N -1 3 385.472 1.726 20 50 GDGDHM CCC(CC)(CCO)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000820887477 945584613 /nfs/dbraw/zinc/58/46/13/945584613.db2.gz DVCKYYIDNPPAKI-OQLLNIDSSA-N -1 3 385.472 1.726 20 50 GDGDHM CCOC(=O)[C@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821337786 945673499 /nfs/dbraw/zinc/67/34/99/945673499.db2.gz NRLDLJSSSAMYBK-LIOBOASVSA-N -1 3 397.439 1.222 20 50 GDGDHM CCOC(=O)[C@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821337786 945673503 /nfs/dbraw/zinc/67/35/03/945673503.db2.gz NRLDLJSSSAMYBK-LIOBOASVSA-N -1 3 397.439 1.222 20 50 GDGDHM CCO[C@@H](CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821351133 945677309 /nfs/dbraw/zinc/67/73/09/945677309.db2.gz LOGRSHIDZOINOK-AWEZNQCLSA-N -1 3 375.433 1.262 20 50 GDGDHM CCO[C@@H](CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821351133 945677313 /nfs/dbraw/zinc/67/73/13/945677313.db2.gz LOGRSHIDZOINOK-AWEZNQCLSA-N -1 3 375.433 1.262 20 50 GDGDHM CCOCCO[C@H](C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821384345 945685884 /nfs/dbraw/zinc/68/58/84/945685884.db2.gz VZEUHKILOSFSFU-SECBINFHSA-N -1 3 388.350 1.770 20 50 GDGDHM CCOCCO[C@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821384345 945685894 /nfs/dbraw/zinc/68/58/94/945685894.db2.gz VZEUHKILOSFSFU-SECBINFHSA-N -1 3 388.350 1.770 20 50 GDGDHM CCS[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821454731 945697352 /nfs/dbraw/zinc/69/73/52/945697352.db2.gz HASCZZLMZJLLPV-UONOGXRCSA-N -1 3 389.485 1.875 20 50 GDGDHM CCS[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821454731 945697362 /nfs/dbraw/zinc/69/73/62/945697362.db2.gz HASCZZLMZJLLPV-UONOGXRCSA-N -1 3 389.485 1.875 20 50 GDGDHM CCSCC[C@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821456637 945699932 /nfs/dbraw/zinc/69/99/32/945699932.db2.gz RIZMHMFNLXOYIO-NSHDSACASA-N -1 3 393.473 1.108 20 50 GDGDHM CCSCC[C@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821456637 945699938 /nfs/dbraw/zinc/69/99/38/945699938.db2.gz RIZMHMFNLXOYIO-NSHDSACASA-N -1 3 393.473 1.108 20 50 GDGDHM CCc1c(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cnn1C ZINC000821460860 945700465 /nfs/dbraw/zinc/70/04/65/945700465.db2.gz FQRDXPIKLCYZFW-UHFFFAOYSA-N -1 3 380.334 1.938 20 50 GDGDHM CCc1c(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cnn1C ZINC000821460860 945700470 /nfs/dbraw/zinc/70/04/70/945700470.db2.gz FQRDXPIKLCYZFW-UHFFFAOYSA-N -1 3 380.334 1.938 20 50 GDGDHM CCc1noc(CC)c1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821558832 945714781 /nfs/dbraw/zinc/71/47/81/945714781.db2.gz GYJUNCDESLKUBL-UHFFFAOYSA-N -1 3 384.400 1.124 20 50 GDGDHM CCc1noc(CC)c1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821558832 945714786 /nfs/dbraw/zinc/71/47/86/945714786.db2.gz GYJUNCDESLKUBL-UHFFFAOYSA-N -1 3 384.400 1.124 20 50 GDGDHM COc1ccc(NC(=O)NNC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821831967 945878119 /nfs/dbraw/zinc/87/81/19/945878119.db2.gz VAOKNFUIIANPOA-NSHDSACASA-N -1 3 397.395 1.496 20 50 GDGDHM COc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821877839 945894631 /nfs/dbraw/zinc/89/46/31/945894631.db2.gz WZSZBNMQAYKUSY-HNNXBMFYSA-N -1 3 393.407 1.507 20 50 GDGDHM COc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821877839 945894644 /nfs/dbraw/zinc/89/46/44/945894644.db2.gz WZSZBNMQAYKUSY-HNNXBMFYSA-N -1 3 393.407 1.507 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc(-c2nnn[n-]2)n1C ZINC000822026893 945926004 /nfs/dbraw/zinc/92/60/04/945926004.db2.gz BERYYGOQKTWCCL-DELQEKLWSA-N -1 3 385.428 1.267 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc(-c2nn[n-]n2)n1C ZINC000822026893 945926012 /nfs/dbraw/zinc/92/60/12/945926012.db2.gz BERYYGOQKTWCCL-DELQEKLWSA-N -1 3 385.428 1.267 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC[C@@H](O)c2ccccc2)cc(-c2nnn[n-]2)n1C ZINC000822029009 945948431 /nfs/dbraw/zinc/94/84/31/945948431.db2.gz UJJSHKPLVSIZOY-CFINBHSISA-N -1 3 391.435 1.661 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC[C@@H](O)c2ccccc2)cc(-c2nn[n-]n2)n1C ZINC000822029009 945948442 /nfs/dbraw/zinc/94/84/42/945948442.db2.gz UJJSHKPLVSIZOY-CFINBHSISA-N -1 3 391.435 1.661 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc(-c2nnn[n-]2)n1C ZINC000822029452 945958310 /nfs/dbraw/zinc/95/83/10/945958310.db2.gz YZMKXSCXHUKHSJ-DVRFEWIASA-N -1 3 395.467 1.574 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc(-c2nn[n-]n2)n1C ZINC000822029452 945958318 /nfs/dbraw/zinc/95/83/18/945958318.db2.gz YZMKXSCXHUKHSJ-DVRFEWIASA-N -1 3 395.467 1.574 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cc(C)c(=O)n(C)c2)cc(-c2nnn[n-]2)n1C ZINC000822207008 945994217 /nfs/dbraw/zinc/99/42/17/945994217.db2.gz HXKOQYDHQOJDMJ-AWNIVKPZSA-N -1 3 378.396 1.066 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cc(C)c(=O)n(C)c2)cc(-c2nn[n-]n2)n1C ZINC000822207008 945994221 /nfs/dbraw/zinc/99/42/21/945994221.db2.gz HXKOQYDHQOJDMJ-AWNIVKPZSA-N -1 3 378.396 1.066 20 50 GDGDHM Cc1ccc([C@H]2CCCN2CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822233643 946017957 /nfs/dbraw/zinc/01/79/57/946017957.db2.gz SHTRZOGRDQQDIA-OAHLLOKOSA-N -1 3 395.423 1.366 20 50 GDGDHM Cc1ccc([C@H]2CCCN2CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822233643 946017970 /nfs/dbraw/zinc/01/79/70/946017970.db2.gz SHTRZOGRDQQDIA-OAHLLOKOSA-N -1 3 395.423 1.366 20 50 GDGDHM Cc1ccc(NC(=O)C(=O)NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000822242614 946029419 /nfs/dbraw/zinc/02/94/19/946029419.db2.gz RBZJCYJWCGHVPC-UHFFFAOYSA-N -1 3 388.391 1.745 20 50 GDGDHM Cc1ccc(NC(=O)C(=O)NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000822242614 946029428 /nfs/dbraw/zinc/02/94/28/946029428.db2.gz RBZJCYJWCGHVPC-UHFFFAOYSA-N -1 3 388.391 1.745 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2COc3ccc(C)cc32)cc(-c2nnn[n-]2)n1C ZINC000822275358 946043148 /nfs/dbraw/zinc/04/31/48/946043148.db2.gz RLXLYLXLZWEVRM-SNQWNFELSA-N -1 3 389.419 1.979 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2COc3ccc(C)cc32)cc(-c2nn[n-]n2)n1C ZINC000822275358 946043163 /nfs/dbraw/zinc/04/31/63/946043163.db2.gz RLXLYLXLZWEVRM-SNQWNFELSA-N -1 3 389.419 1.979 20 50 GDGDHM Cc1cccc(F)c1CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822308595 946051457 /nfs/dbraw/zinc/05/14/57/946051457.db2.gz HUJORRHYOWKDHQ-UHFFFAOYSA-N -1 3 399.386 1.224 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000823036349 946282839 /nfs/dbraw/zinc/28/28/39/946282839.db2.gz AGXMUTDDUFOCCI-LLVKDONJSA-N -1 3 395.370 1.154 20 50 GDGDHM O=C(Cc1ccncc1)NNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823114668 946316171 /nfs/dbraw/zinc/31/61/71/946316171.db2.gz ANLLDRPZHORRAZ-UHFFFAOYSA-N -1 3 399.414 1.932 20 50 GDGDHM O=C(Cc1ccncc1)NNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823114668 946316183 /nfs/dbraw/zinc/31/61/83/946316183.db2.gz ANLLDRPZHORRAZ-UHFFFAOYSA-N -1 3 399.414 1.932 20 50 GDGDHM O=C(NCc1ccn(C2CCCC2)n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823261514 946361088 /nfs/dbraw/zinc/36/10/88/946361088.db2.gz LDZGWIVHSGAFQV-UHFFFAOYSA-N -1 3 395.427 1.323 20 50 GDGDHM O=C(NCc1ccn(C2CCCC2)n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823261514 946361101 /nfs/dbraw/zinc/36/11/01/946361101.db2.gz LDZGWIVHSGAFQV-UHFFFAOYSA-N -1 3 395.427 1.323 20 50 GDGDHM O=C(NNC(=O)c1ccnc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823276985 946390562 /nfs/dbraw/zinc/39/05/62/946390562.db2.gz ATXJHQOYKRKGMY-UHFFFAOYSA-N -1 3 388.185 1.099 20 50 GDGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc(OC(F)F)cc1 ZINC000823277515 946401730 /nfs/dbraw/zinc/40/17/30/946401730.db2.gz OAWGBXNTCMQGSH-UHFFFAOYSA-N -1 3 390.310 1.330 20 50 GDGDHM CS(=O)(=O)c1cccc(NNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826224318 947662177 /nfs/dbraw/zinc/66/21/77/947662177.db2.gz ZOYRVUGBDGPHRS-UHFFFAOYSA-N -1 3 391.388 1.558 20 50 GDGDHM CS(=O)(=O)c1cccc(NNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826224318 947662184 /nfs/dbraw/zinc/66/21/84/947662184.db2.gz ZOYRVUGBDGPHRS-UHFFFAOYSA-N -1 3 391.388 1.558 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000826448921 607334683 /nfs/dbraw/zinc/33/46/83/607334683.db2.gz SGOIIBYCZIIVJY-UHFFFAOYSA-N -1 3 383.387 1.599 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000826448921 607334685 /nfs/dbraw/zinc/33/46/85/607334685.db2.gz SGOIIBYCZIIVJY-UHFFFAOYSA-N -1 3 383.387 1.599 20 50 GDGDHM C[C@@H]1Oc2ccccc2N(CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825022563 607338471 /nfs/dbraw/zinc/33/84/71/607338471.db2.gz YEYGFFAPHDQKOO-LBPRGKRZSA-N -1 3 393.407 1.514 20 50 GDGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000824039635 607340175 /nfs/dbraw/zinc/34/01/75/607340175.db2.gz GEERCLUAOXILSK-SNVBAGLBSA-N -1 3 390.400 1.311 20 50 GDGDHM CS(=O)(=O)c1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826224279 607340618 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GDGDHM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824108496 607353429 /nfs/dbraw/zinc/35/34/29/607353429.db2.gz GWIITSZOBVABOG-GFCCVEGCSA-N -1 3 391.457 1.620 20 50 GDGDHM Cc1ccc(CN2C[C@H](C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CC2=O)cc1 ZINC000826287904 607355225 /nfs/dbraw/zinc/35/52/25/607355225.db2.gz IPWGCVZGSMDFQU-MRXNPFEDSA-N -1 3 391.435 1.667 20 50 GDGDHM NC(=O)N1CCC[C@@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000826392172 607394682 /nfs/dbraw/zinc/39/46/82/607394682.db2.gz PMRBASSGUMZZNZ-MRVPVSSYSA-N -1 3 398.349 1.119 20 50 GDGDHM NC(=O)N1CCC[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000826392172 607394684 /nfs/dbraw/zinc/39/46/84/607394684.db2.gz PMRBASSGUMZZNZ-MRVPVSSYSA-N -1 3 398.349 1.119 20 50 GDGDHM O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826449258 607713115 /nfs/dbraw/zinc/71/31/15/607713115.db2.gz JHIXYFVNFVQVKY-INIZCTEOSA-N -1 3 394.395 1.887 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000826448786 607716532 /nfs/dbraw/zinc/71/65/32/607716532.db2.gz LUYXUYNVGXUBPF-UHFFFAOYSA-N -1 3 399.436 1.164 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000826448786 607716535 /nfs/dbraw/zinc/71/65/35/607716535.db2.gz LUYXUYNVGXUBPF-UHFFFAOYSA-N -1 3 399.436 1.164 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000826449563 607718082 /nfs/dbraw/zinc/71/80/82/607718082.db2.gz YWKUPDNVNPBFLI-UHFFFAOYSA-N -1 3 391.351 1.718 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000826449563 607718083 /nfs/dbraw/zinc/71/80/83/607718083.db2.gz YWKUPDNVNPBFLI-UHFFFAOYSA-N -1 3 391.351 1.718 20 50 GDGDHM Cc1nc(COc2ccccc2C(=O)NNc2cccc(-c3nnn[n-]3)c2)no1 ZINC000826326246 607719419 /nfs/dbraw/zinc/71/94/19/607719419.db2.gz HKQQMIXQSHMYEB-UHFFFAOYSA-N -1 3 392.379 1.894 20 50 GDGDHM Cc1nc(COc2ccccc2C(=O)NNc2cccc(-c3nn[n-]n3)c2)no1 ZINC000826326246 607719421 /nfs/dbraw/zinc/71/94/21/607719421.db2.gz HKQQMIXQSHMYEB-UHFFFAOYSA-N -1 3 392.379 1.894 20 50 GDGDHM O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404977 607721082 /nfs/dbraw/zinc/72/10/82/607721082.db2.gz RPQAXYNSETYPDW-SFHVURJKSA-N -1 3 393.451 1.601 20 50 GDGDHM C=CCNS(=O)(=O)c1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823925094 607721685 /nfs/dbraw/zinc/72/16/85/607721685.db2.gz DIHOJYNAHPNTKX-UHFFFAOYSA-N -1 3 399.436 1.088 20 50 GDGDHM C=CCNS(=O)(=O)c1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823925094 607721687 /nfs/dbraw/zinc/72/16/87/607721687.db2.gz DIHOJYNAHPNTKX-UHFFFAOYSA-N -1 3 399.436 1.088 20 50 GDGDHM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000833408780 605038567 /nfs/dbraw/zinc/03/85/67/605038567.db2.gz VWXZJIMMHKWIHV-QGZVFWFLSA-N -1 3 397.479 1.796 20 50 GDGDHM CC(C)[C@H]1CC[C@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824342772 607792939 /nfs/dbraw/zinc/79/29/39/607792939.db2.gz UDPHGPVTSWXKAE-CTYIDZIISA-N -1 3 386.456 1.855 20 50 GDGDHM CCCC(CCC)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825241974 607804703 /nfs/dbraw/zinc/80/47/03/607804703.db2.gz FYBKBXNZBPQNSD-UHFFFAOYSA-N -1 3 388.428 1.387 20 50 GDGDHM CCCC(CCC)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825241974 607804704 /nfs/dbraw/zinc/80/47/04/607804704.db2.gz FYBKBXNZBPQNSD-UHFFFAOYSA-N -1 3 388.428 1.387 20 50 GDGDHM O=C(CN(Cc1cccs1)C1CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409974 607921006 /nfs/dbraw/zinc/92/10/06/607921006.db2.gz WOJSPSGNWOUDSB-UHFFFAOYSA-N -1 3 397.464 1.354 20 50 GDGDHM O=C(CN(Cc1cccs1)C1CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409974 607921007 /nfs/dbraw/zinc/92/10/07/607921007.db2.gz WOJSPSGNWOUDSB-UHFFFAOYSA-N -1 3 397.464 1.354 20 50 GDGDHM CCOc1ccc(N(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825638143 607923428 /nfs/dbraw/zinc/92/34/28/607923428.db2.gz HERPGBDVSRUXIF-UHFFFAOYSA-N -1 3 395.423 1.163 20 50 GDGDHM CCOc1ccc(N(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825638143 607923429 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381.421 1.481 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)c2cccs2)cc(-c2nn[n-]n2)n1C ZINC000826235638 608079600 /nfs/dbraw/zinc/07/96/00/608079600.db2.gz NSZWGUSKVBXYQW-WUXMJOGZSA-N -1 3 381.421 1.481 20 50 GDGDHM N#CC(=Cc1ccc(F)cc1)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826379103 608146568 /nfs/dbraw/zinc/14/65/68/608146568.db2.gz JBDQXPYRBWCPFX-ZROIWOOFSA-N -1 3 378.371 1.536 20 50 GDGDHM N#CC(=Cc1ccc(F)cc1)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826379103 608146569 /nfs/dbraw/zinc/14/65/69/608146569.db2.gz JBDQXPYRBWCPFX-ZROIWOOFSA-N -1 3 378.371 1.536 20 50 GDGDHM O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826441845 608220757 /nfs/dbraw/zinc/22/07/57/608220757.db2.gz XXULKRCJCBCXQH-UHFFFAOYSA-N -1 3 389.828 1.348 20 50 GDGDHM CCc1cnccc1[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825734870 608319769 /nfs/dbraw/zinc/31/97/69/608319769.db2.gz NROPMIFWKHTSPH-LLVKDONJSA-N -1 3 380.412 1.529 20 50 GDGDHM CCc1cnccc1[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825734870 608319770 /nfs/dbraw/zinc/31/97/70/608319770.db2.gz NROPMIFWKHTSPH-LLVKDONJSA-N -1 3 380.412 1.529 20 50 GDGDHM CC(C)[C@H](C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)N1CCCCC1 ZINC000824185028 608629889 /nfs/dbraw/zinc/62/98/89/608629889.db2.gz PSGALOXNNWWJIQ-CQSZACIVSA-N -1 3 378.868 1.869 20 50 GDGDHM CCOC(=O)Nc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825540504 608816526 /nfs/dbraw/zinc/81/65/26/608816526.db2.gz ZTTZLYFZUCKSHO-UHFFFAOYSA-N -1 3 390.404 1.634 20 50 GDGDHM CCOC(=O)Nc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825540504 608816527 /nfs/dbraw/zinc/81/65/27/608816527.db2.gz ZTTZLYFZUCKSHO-UHFFFAOYSA-N -1 3 390.404 1.634 20 50 GDGDHM CCNC(=O)N(C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825471519 609165647 /nfs/dbraw/zinc/16/56/47/609165647.db2.gz VORZJTQBIOKVIV-UHFFFAOYSA-N -1 3 382.428 1.580 20 50 GDGDHM CCN(CC(=O)NNC(=O)c1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825395413 609269662 /nfs/dbraw/zinc/26/96/62/609269662.db2.gz OXPDJQVYWIIYIM-CQSZACIVSA-N -1 3 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CCS[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821454724 945698316 /nfs/dbraw/zinc/69/83/16/945698316.db2.gz HASCZZLMZJLLPV-KBPBESRZSA-N -1 3 389.485 1.875 20 50 GDGDHM CCS[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821454724 945698326 /nfs/dbraw/zinc/69/83/26/945698326.db2.gz HASCZZLMZJLLPV-KBPBESRZSA-N -1 3 389.485 1.875 20 50 GDGDHM CN(C)c1ccc(NC(=O)NNC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821589680 945729408 /nfs/dbraw/zinc/72/94/08/945729408.db2.gz YPLAADZWTAXUJP-UHFFFAOYSA-N -1 3 395.427 1.469 20 50 GDGDHM CN(C)c1ccc(NC(=O)NNC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821589680 945729411 /nfs/dbraw/zinc/72/94/11/945729411.db2.gz YPLAADZWTAXUJP-UHFFFAOYSA-N -1 3 395.427 1.469 20 50 GDGDHM CN(C)c1ccc(NC(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821589592 945730229 /nfs/dbraw/zinc/73/02/29/945730229.db2.gz VGDWTAJZZOOHDC-UHFFFAOYSA-N -1 3 380.412 1.328 20 50 GDGDHM CN(C)c1ccc(NC(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821589592 945730239 /nfs/dbraw/zinc/73/02/39/945730239.db2.gz VGDWTAJZZOOHDC-UHFFFAOYSA-N -1 3 380.412 1.328 20 50 GDGDHM CO[C@]1(C)C[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1(C)C ZINC000821678895 945799116 /nfs/dbraw/zinc/79/91/16/945799116.db2.gz UMMZAGNMBWOPOL-DCUDBYIXSA-N -1 3 383.456 1.740 20 50 GDGDHM CO[C@]1(C)C[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1(C)C ZINC000821678895 945799120 /nfs/dbraw/zinc/79/91/20/945799120.db2.gz UMMZAGNMBWOPOL-DCUDBYIXSA-N -1 3 383.456 1.740 20 50 GDGDHM COc1ccc(NNC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821835994 945881056 /nfs/dbraw/zinc/88/10/56/945881056.db2.gz WTTDSQZARFCWLJ-JTQLQIEISA-N -1 3 399.367 1.694 20 50 GDGDHM COc1ccc(NNC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821835994 945881081 /nfs/dbraw/zinc/88/10/81/945881081.db2.gz WTTDSQZARFCWLJ-JTQLQIEISA-N -1 3 399.367 1.694 20 50 GDGDHM COc1ccc(NNC(=O)COc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821835495 945882213 /nfs/dbraw/zinc/88/22/13/945882213.db2.gz 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Cc1n[nH]c(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000822010322 945920292 /nfs/dbraw/zinc/92/02/92/945920292.db2.gz XYOSKZCVBDBNFI-UHFFFAOYSA-N -1 3 397.277 1.582 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2ccccc2O)cc(-c2nn[n-]n2)n1C ZINC000822020966 945922707 /nfs/dbraw/zinc/92/27/07/945922707.db2.gz PPYWTGDJCJSOQX-NVNXTCNLSA-N -1 3 377.408 1.785 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc([C@H](C)O)cc2)cc(-c2nnn[n-]2)n1C ZINC000822027021 945928536 /nfs/dbraw/zinc/92/85/36/945928536.db2.gz CKFSNPFGGZWQOV-TVYFDWKESA-N -1 3 391.435 1.790 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc([C@H](C)O)cc2)cc(-c2nn[n-]n2)n1C ZINC000822027021 945928544 /nfs/dbraw/zinc/92/85/44/945928544.db2.gz CKFSNPFGGZWQOV-TVYFDWKESA-N -1 3 391.435 1.790 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC[C@@H](O)c2ccccc2)cc(-c2nnn[n-]2)n1C ZINC000822029012 945949406 /nfs/dbraw/zinc/94/94/06/945949406.db2.gz UJJSHKPLVSIZOY-GANRHZMWSA-N -1 3 391.435 1.661 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC[C@@H](O)c2ccccc2)cc(-c2nn[n-]n2)n1C ZINC000822029012 945949422 /nfs/dbraw/zinc/94/94/22/945949422.db2.gz UJJSHKPLVSIZOY-GANRHZMWSA-N -1 3 391.435 1.661 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccc(F)cc2)cc(-c2nnn[n-]2)n1C ZINC000822029358 945955128 /nfs/dbraw/zinc/95/51/28/945955128.db2.gz XHTWRZKPOCWZFQ-UBWHZCOUSA-N -1 3 395.398 1.410 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccc(F)cc2)cc(-c2nn[n-]n2)n1C ZINC000822029358 945955142 /nfs/dbraw/zinc/95/51/42/945955142.db2.gz XHTWRZKPOCWZFQ-UBWHZCOUSA-N -1 3 395.398 1.410 20 50 GDGDHM Cc1ccccc1NC(=O)NNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822362220 946072006 /nfs/dbraw/zinc/07/20/06/946072006.db2.gz OWSVGNLZBBOYSY-UHFFFAOYSA-N -1 3 396.411 1.590 20 50 GDGDHM Cc1ncc(CCNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)s1 ZINC000822467451 946098514 /nfs/dbraw/zinc/09/85/14/946098514.db2.gz MVLQKEBFNSTPID-MLPAPPSSSA-N -1 3 382.453 1.544 20 50 GDGDHM Cc1ncc(CCNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)s1 ZINC000822467451 946098532 /nfs/dbraw/zinc/09/85/32/946098532.db2.gz MVLQKEBFNSTPID-MLPAPPSSSA-N -1 3 382.453 1.544 20 50 GDGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2 ZINC000822645979 946147538 /nfs/dbraw/zinc/14/75/38/946147538.db2.gz ZOIXIFFRPWZBJX-UHFFFAOYSA-N -1 3 385.453 1.610 20 50 GDGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2 ZINC000822645979 946147543 /nfs/dbraw/zinc/14/75/43/946147543.db2.gz ZOIXIFFRPWZBJX-UHFFFAOYSA-N -1 3 385.453 1.610 20 50 GDGDHM Cn1cc(CCC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000822673894 946153086 /nfs/dbraw/zinc/15/30/86/946153086.db2.gz FPVUKIGQUPNADF-UHFFFAOYSA-N -1 3 380.334 1.695 20 50 GDGDHM Cn1cc(CCC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000822673894 946153091 /nfs/dbraw/zinc/15/30/91/946153091.db2.gz FPVUKIGQUPNADF-UHFFFAOYSA-N -1 3 380.334 1.695 20 50 GDGDHM O=C(CN1CCCc2ccccc2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822997048 946257568 /nfs/dbraw/zinc/25/75/68/946257568.db2.gz LRCUQCAILALBIQ-UHFFFAOYSA-N -1 3 391.435 1.076 20 50 GDGDHM O=C(/C=C/C1CCCCC1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018597 946273144 /nfs/dbraw/zinc/27/31/44/946273144.db2.gz SUIGTLCCGRAKPW-MDZDMXLPSA-N -1 3 398.423 1.307 20 50 GDGDHM O=C(/C=C/C1CCCCC1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018597 946273156 /nfs/dbraw/zinc/27/31/56/946273156.db2.gz SUIGTLCCGRAKPW-MDZDMXLPSA-N -1 3 398.423 1.307 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1ccc(F)c(Cl)c1 ZINC000823037541 946289007 /nfs/dbraw/zinc/28/90/07/946289007.db2.gz ZSMCXSQZCNFHDP-UHFFFAOYSA-N -1 3 390.762 1.499 20 50 GDGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000823049932 946295487 /nfs/dbraw/zinc/29/54/87/946295487.db2.gz NASFPUIXPGZRTF-SNVBAGLBSA-N -1 3 395.370 1.154 20 50 GDGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000823049932 946295494 /nfs/dbraw/zinc/29/54/94/946295494.db2.gz NASFPUIXPGZRTF-SNVBAGLBSA-N -1 3 395.370 1.154 20 50 GDGDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000823061030 946301311 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OMPNXYGIZCMFKJ-UHFFFAOYSA-N -1 3 395.467 1.883 20 50 GDGDHM O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826441839 608220920 /nfs/dbraw/zinc/22/09/20/608220920.db2.gz XRCJQNMUIWLUNY-UHFFFAOYSA-N -1 3 383.799 1.287 20 50 GDGDHM O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826441839 608220921 /nfs/dbraw/zinc/22/09/21/608220921.db2.gz XRCJQNMUIWLUNY-UHFFFAOYSA-N -1 3 383.799 1.287 20 50 GDGDHM O=C(NNC(=O)c1ccccc1OC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000826445460 608546997 /nfs/dbraw/zinc/54/69/97/608546997.db2.gz VQWLMLHGFJDEEL-UHFFFAOYSA-N -1 3 392.297 1.840 20 50 GDGDHM COc1cc(F)cc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826179862 608762579 /nfs/dbraw/zinc/76/25/79/608762579.db2.gz IMMQAVKSLBQDAM-UHFFFAOYSA-N -1 3 385.359 1.159 20 50 GDGDHM COc1cc(F)cc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826179862 608762581 /nfs/dbraw/zinc/76/25/81/608762581.db2.gz IMMQAVKSLBQDAM-UHFFFAOYSA-N -1 3 385.359 1.159 20 50 GDGDHM CC[C@H](c1ccncc1)N(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825158823 608802969 /nfs/dbraw/zinc/80/29/69/608802969.db2.gz BGDAUKQQEAXDJV-MRXNPFEDSA-N -1 3 394.439 1.106 20 50 GDGDHM CC[C@H](c1ccncc1)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825158823 608802971 /nfs/dbraw/zinc/80/29/71/608802971.db2.gz BGDAUKQQEAXDJV-MRXNPFEDSA-N -1 3 394.439 1.106 20 50 GDGDHM CCNC(=O)COc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825471498 608804616 /nfs/dbraw/zinc/80/46/16/608804616.db2.gz UZHTZNRKTKYIFT-UHFFFAOYSA-N -1 3 396.411 1.530 20 50 GDGDHM CCNC(=O)COc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825471498 608804619 /nfs/dbraw/zinc/80/46/19/608804619.db2.gz UZHTZNRKTKYIFT-UHFFFAOYSA-N -1 3 396.411 1.530 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccnc1N1CCOCC1 ZINC000826448287 608810395 /nfs/dbraw/zinc/81/03/95/608810395.db2.gz PKOBYSWVSBUPMS-UHFFFAOYSA-N -1 3 381.400 1.247 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccnc1N1CCOCC1 ZINC000826448287 608810398 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GDGDHM O=C(NNc1ccccn1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826449381 609364335 /nfs/dbraw/zinc/36/43/35/609364335.db2.gz PFSXICUSCFCDHP-UHFFFAOYSA-N -1 3 380.347 1.735 20 50 GDGDHM Cc1cc(C)n2nc(NC(=O)NNc3ccc(-c4nnn[n-]4)c(Cl)c3)nc2n1 ZINC000826265917 609498058 /nfs/dbraw/zinc/49/80/58/609498058.db2.gz SXKQLTGLYHDGET-UHFFFAOYSA-N -1 3 399.806 1.723 20 50 GDGDHM Cc1cc(C)n2nc(NC(=O)NNc3ccc(-c4nn[n-]n4)c(Cl)c3)nc2n1 ZINC000826265917 609498060 /nfs/dbraw/zinc/49/80/60/609498060.db2.gz SXKQLTGLYHDGET-UHFFFAOYSA-N -1 3 399.806 1.723 20 50 GDGDHM O=C(NNC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445007 609545943 /nfs/dbraw/zinc/54/59/43/609545943.db2.gz CPRIEIZYEVPUGD-QGZVFWFLSA-N -1 3 392.419 1.836 20 50 GDGDHM O=C(NNC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445007 609545944 /nfs/dbraw/zinc/54/59/44/609545944.db2.gz CPRIEIZYEVPUGD-QGZVFWFLSA-N -1 3 392.419 1.836 20 50 GDGDHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824906457 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CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939432 945594829 /nfs/dbraw/zinc/59/48/29/945594829.db2.gz UCGGWFZHBNQILB-INIZCTEOSA-N -1 3 380.408 1.794 20 50 GDGDHM CCCCCOC1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821056388 945626435 /nfs/dbraw/zinc/62/64/35/945626435.db2.gz PHATVRJGNZPWFM-OVCLIPMQSA-N -1 3 383.456 1.838 20 50 GDGDHM CCCCCOC1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821056388 945626439 /nfs/dbraw/zinc/62/64/39/945626439.db2.gz PHATVRJGNZPWFM-OVCLIPMQSA-N -1 3 383.456 1.838 20 50 GDGDHM CCN(CC)c1cc[nH]c(=NNC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)n1 ZINC000821197274 945650769 /nfs/dbraw/zinc/65/07/69/945650769.db2.gz HXBDPFVQAVNVLH-LBPRGKRZSA-N -1 3 397.443 1.414 20 50 GDGDHM CCN(CC)c1cc[nH]c(=NNC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)n1 ZINC000821197274 945650775 /nfs/dbraw/zinc/65/07/75/945650775.db2.gz HXBDPFVQAVNVLH-LBPRGKRZSA-N -1 3 397.443 1.414 20 50 GDGDHM CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C12CCC2 ZINC000821359330 945679836 /nfs/dbraw/zinc/67/98/36/945679836.db2.gz NOQSEPCUARRLBH-UONOGXRCSA-N -1 3 385.428 1.158 20 50 GDGDHM CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C12CCC2 ZINC000821359330 945679844 /nfs/dbraw/zinc/67/98/44/945679844.db2.gz NOQSEPCUARRLBH-UONOGXRCSA-N -1 3 385.428 1.158 20 50 GDGDHM CCS[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821455435 945700125 /nfs/dbraw/zinc/70/01/25/945700125.db2.gz KHAYKATZTNDFSF-ZIAGYGMSSA-N -1 3 389.485 1.875 20 50 GDGDHM CCS[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821455435 945700130 /nfs/dbraw/zinc/70/01/30/945700130.db2.gz KHAYKATZTNDFSF-ZIAGYGMSSA-N -1 3 389.485 1.875 20 50 GDGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000821593654 945730353 /nfs/dbraw/zinc/73/03/53/945730353.db2.gz DCYKLORPFIFOON-UHFFFAOYSA-N -1 3 399.842 1.413 20 50 GDGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1 ZINC000821593654 945730359 /nfs/dbraw/zinc/73/03/59/945730359.db2.gz DCYKLORPFIFOON-UHFFFAOYSA-N -1 3 399.842 1.413 20 50 GDGDHM CN(Cc1cc(Cl)cn1C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821607453 945742884 /nfs/dbraw/zinc/74/28/84/945742884.db2.gz PFTBPUHEOAYSLR-UHFFFAOYSA-N -1 3 388.819 1.345 20 50 GDGDHM CN(Cc1cc(Cl)cn1C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821607453 945742891 /nfs/dbraw/zinc/74/28/91/945742891.db2.gz PFTBPUHEOAYSLR-UHFFFAOYSA-N -1 3 388.819 1.345 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645011 945769976 /nfs/dbraw/zinc/76/99/76/945769976.db2.gz OSSZNWHLBFSXGO-AWEZNQCLSA-N -1 3 386.799 1.669 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645011 945769983 /nfs/dbraw/zinc/76/99/83/945769983.db2.gz OSSZNWHLBFSXGO-AWEZNQCLSA-N -1 3 386.799 1.669 20 50 GDGDHM CO[C@H](C)c1noc(COC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000821676003 945795479 /nfs/dbraw/zinc/79/54/79/945795479.db2.gz YTYDEOKEQGTTQL-CGYDICSFSA-N -1 3 398.383 1.254 20 50 GDGDHM CO[C@H](C)c1noc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000821676003 945795486 /nfs/dbraw/zinc/79/54/86/945795486.db2.gz YTYDEOKEQGTTQL-CGYDICSFSA-N -1 3 398.383 1.254 20 50 GDGDHM COc1ccc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)cc1O ZINC000821798492 945869387 /nfs/dbraw/zinc/86/93/87/945869387.db2.gz BRLJGMWGPYNNAV-AUWJEWJLSA-N -1 3 393.407 1.451 20 50 GDGDHM COc1ccc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cc1O ZINC000821798492 945869401 /nfs/dbraw/zinc/86/94/01/945869401.db2.gz BRLJGMWGPYNNAV-AUWJEWJLSA-N -1 3 393.407 1.451 20 50 GDGDHM COc1cccc2c1CC[C@H]2NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821877840 945894309 /nfs/dbraw/zinc/89/43/09/945894309.db2.gz WZSZBNMQAYKUSY-OAHLLOKOSA-N -1 3 393.407 1.507 20 50 GDGDHM COc1cccc2c1CC[C@H]2NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821877840 945894326 /nfs/dbraw/zinc/89/43/26/945894326.db2.gz WZSZBNMQAYKUSY-OAHLLOKOSA-N -1 3 393.407 1.507 20 50 GDGDHM COc1ccccc1C(=O)NNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821882669 945894773 /nfs/dbraw/zinc/89/47/73/945894773.db2.gz HTTJTNFNFBUKFP-NSHDSACASA-N -1 3 381.396 1.581 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)Cc2ccccc2)cc(-c2nnn[n-]2)n1C ZINC000822027171 945927546 /nfs/dbraw/zinc/92/75/46/945927546.db2.gz DZXLHGRXLUEBAV-VHEJECIDSA-N -1 3 391.435 1.140 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)Cc2ccccc2)cc(-c2nn[n-]n2)n1C ZINC000822027171 945927555 /nfs/dbraw/zinc/92/75/55/945927555.db2.gz DZXLHGRXLUEBAV-VHEJECIDSA-N -1 3 391.435 1.140 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC(C(F)F)CC2)cc(-c2nnn[n-]2)n1C ZINC000822027360 945931031 /nfs/dbraw/zinc/93/10/31/945931031.db2.gz GPBQUCWYHNVJQD-NTUHNPAUSA-N -1 3 375.383 1.924 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC(C(F)F)CC2)cc(-c2nn[n-]n2)n1C ZINC000822027360 945931040 /nfs/dbraw/zinc/93/10/40/945931040.db2.gz GPBQUCWYHNVJQD-NTUHNPAUSA-N -1 3 375.383 1.924 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@@H](c3ccco3)C2)cc(-c2nnn[n-]2)n1C ZINC000822027887 945936656 /nfs/dbraw/zinc/93/66/56/945936656.db2.gz KHSCFGQKSMYUBN-LEHPZIBWSA-N -1 3 393.407 1.614 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@@H](c3ccco3)C2)cc(-c2nn[n-]n2)n1C ZINC000822027887 945936664 /nfs/dbraw/zinc/93/66/64/945936664.db2.gz KHSCFGQKSMYUBN-LEHPZIBWSA-N -1 3 393.407 1.614 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(C)CCCC[C@H]2O)cc(-c2nnn[n-]2)n1C ZINC000822027669 945936927 /nfs/dbraw/zinc/93/69/27/945936927.db2.gz IVBIOCZQHJXRDL-HDMWWSCGSA-N -1 3 383.456 1.478 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(C)CCCC[C@H]2O)cc(-c2nn[n-]n2)n1C ZINC000822027669 945936940 /nfs/dbraw/zinc/93/69/40/945936940.db2.gz IVBIOCZQHJXRDL-HDMWWSCGSA-N -1 3 383.456 1.478 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)OCc2cn3cccnc3n2)cc(-c2nnn[n-]2)n1C ZINC000822028860 945949531 /nfs/dbraw/zinc/94/95/31/945949531.db2.gz SWKXAFNKMZGETG-MLPAPPSSSA-N -1 3 389.379 1.207 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)OCc2cn3cccnc3n2)cc(-c2nn[n-]n2)n1C ZINC000822028860 945949538 /nfs/dbraw/zinc/94/95/38/945949538.db2.gz SWKXAFNKMZGETG-MLPAPPSSSA-N -1 3 389.379 1.207 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](C)Cn2ccnc2)cc(-c2nn[n-]n2)n1C ZINC000822029465 945957864 /nfs/dbraw/zinc/95/78/64/945957864.db2.gz ZCGGZDVCVGULEQ-FCGPPKDQSA-N -1 3 379.428 1.070 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cn(C)c(=O)cc2C)cc(-c2nnn[n-]2)n1C ZINC000822161693 945968862 /nfs/dbraw/zinc/96/88/62/945968862.db2.gz STLALMPWYSNAIW-MLPAPPSSSA-N -1 3 378.396 1.066 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cn(C)c(=O)cc2C)cc(-c2nn[n-]n2)n1C ZINC000822161693 945968870 /nfs/dbraw/zinc/96/88/70/945968870.db2.gz STLALMPWYSNAIW-MLPAPPSSSA-N -1 3 378.396 1.066 20 50 GDGDHM Cc1cc(Cl)cc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822202404 945988589 /nfs/dbraw/zinc/98/85/89/945988589.db2.gz YNMWGONMGURKOK-UHFFFAOYSA-N -1 3 386.799 1.669 20 50 GDGDHM Cc1ccc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822237417 946023980 /nfs/dbraw/zinc/02/39/80/946023980.db2.gz SJNNEMXLAOAMMS-UHFFFAOYSA-N -1 3 385.453 1.130 20 50 GDGDHM Cc1ccc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822237417 946023984 /nfs/dbraw/zinc/02/39/84/946023984.db2.gz SJNNEMXLAOAMMS-UHFFFAOYSA-N -1 3 385.453 1.130 20 50 GDGDHM Cc1cccc(C)c1CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822293523 946047343 /nfs/dbraw/zinc/04/73/43/946047343.db2.gz AYVRFDNNSTYXFY-UHFFFAOYSA-N -1 3 395.423 1.393 20 50 GDGDHM Cc1cccc(C)c1CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822293675 946049703 /nfs/dbraw/zinc/04/97/03/946049703.db2.gz HKCYUURHIKIWMM-UHFFFAOYSA-N -1 3 395.423 1.393 20 50 GDGDHM Cc1cccc(C)c1CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000822293675 946049716 /nfs/dbraw/zinc/04/97/16/946049716.db2.gz HKCYUURHIKIWMM-UHFFFAOYSA-N -1 3 395.423 1.393 20 50 GDGDHM Cc1cnc([C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C2CC2)s1 ZINC000822389274 946077852 /nfs/dbraw/zinc/07/78/52/946077852.db2.gz QQUWIYZNSRTETN-CYBMUJFWSA-N -1 3 398.452 1.727 20 50 GDGDHM Cc1cnc([C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C2CC2)s1 ZINC000822389274 946077866 /nfs/dbraw/zinc/07/78/66/946077866.db2.gz QQUWIYZNSRTETN-CYBMUJFWSA-N -1 3 398.452 1.727 20 50 GDGDHM Cc1csc(SCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822414866 946083677 /nfs/dbraw/zinc/08/36/77/946083677.db2.gz XRRFTGOAEXFWMG-UHFFFAOYSA-N -1 3 375.439 1.185 20 50 GDGDHM Cc1csc(SCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822414866 946083666 /nfs/dbraw/zinc/08/36/66/946083666.db2.gz XRRFTGOAEXFWMG-UHFFFAOYSA-N -1 3 375.439 1.185 20 50 GDGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)c1ccccc1Br ZINC000822645950 946146825 /nfs/dbraw/zinc/14/68/25/946146825.db2.gz YAQGXBUJKYLLJT-UHFFFAOYSA-N -1 3 390.201 1.043 20 50 GDGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)c1ccccc1Br ZINC000822645950 946146834 /nfs/dbraw/zinc/14/68/34/946146834.db2.gz YAQGXBUJKYLLJT-UHFFFAOYSA-N -1 3 390.201 1.043 20 50 GDGDHM O=C(CN1CCC(C2CCCC2)CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822993351 946252434 /nfs/dbraw/zinc/25/24/34/946252434.db2.gz RSCOOGCNKRURBO-UHFFFAOYSA-N -1 3 397.483 1.530 20 50 GDGDHM O=C(CN1CCCc2ccccc21)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822997999 946258715 /nfs/dbraw/zinc/25/87/15/946258715.db2.gz YMBJGVFDPIJCLQ-UHFFFAOYSA-N -1 3 379.399 1.909 20 50 GDGDHM O=C(CN1CCCc2ccccc21)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822997999 946258725 /nfs/dbraw/zinc/25/87/25/946258725.db2.gz YMBJGVFDPIJCLQ-UHFFFAOYSA-N -1 3 379.399 1.909 20 50 GDGDHM O=C(COC/C=C/c1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823032164 946282811 /nfs/dbraw/zinc/28/28/11/946282811.db2.gz OZIBCEGRNJQLKR-QPJJXVBHSA-N -1 3 378.392 1.358 20 50 GDGDHM O=C(COC/C=C/c1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823032164 946282819 /nfs/dbraw/zinc/28/28/19/946282819.db2.gz OZIBCEGRNJQLKR-QPJJXVBHSA-N -1 3 378.392 1.358 20 50 GDGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000823049507 946294385 /nfs/dbraw/zinc/29/43/85/946294385.db2.gz FIQBWSWUHMXSAF-GJZGRUSLSA-N -1 3 399.455 1.545 20 50 GDGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000823049507 946294399 /nfs/dbraw/zinc/29/43/99/946294399.db2.gz FIQBWSWUHMXSAF-GJZGRUSLSA-N -1 3 399.455 1.545 20 50 GDGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=Cc1cccc(-n2cccn2)c1 ZINC000823049933 946296890 /nfs/dbraw/zinc/29/68/90/946296890.db2.gz NCUCFZCWQJUDRM-UHFFFAOYSA-N -1 3 388.391 1.582 20 50 GDGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=Cc1cccc(-n2cccn2)c1 ZINC000823049933 946296897 /nfs/dbraw/zinc/29/68/97/946296897.db2.gz NCUCFZCWQJUDRM-UHFFFAOYSA-N -1 3 388.391 1.582 20 50 GDGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCc2c1cccc2O ZINC000823277459 946402305 /nfs/dbraw/zinc/40/23/05/946402305.db2.gz NOSASOFASVUDMJ-CQSZACIVSA-N -1 3 379.380 1.204 20 50 GDGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCc2c1cccc2O ZINC000823277459 946402311 /nfs/dbraw/zinc/40/23/11/946402311.db2.gz NOSASOFASVUDMJ-CQSZACIVSA-N -1 3 379.380 1.204 20 50 GDGDHM O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826400382 948218077 /nfs/dbraw/zinc/21/80/77/948218077.db2.gz XZGWRAWCVQRGAX-SREVYHEPSA-N -1 3 389.379 1.381 20 50 GDGDHM O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826400382 948218085 /nfs/dbraw/zinc/21/80/85/948218085.db2.gz XZGWRAWCVQRGAX-SREVYHEPSA-N -1 3 389.379 1.381 20 50 GDGDHM Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NNc2cccc(F)c2C(=O)[O-])cn1 ZINC001598578678 993312166 /nfs/dbraw/zinc/31/21/66/993312166.db2.gz LFVOWKJROXXCOD-OLZOCXBDSA-N -1 3 375.404 1.436 20 50 GDGDHM Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC000826290672 607338035 /nfs/dbraw/zinc/33/80/35/607338035.db2.gz UXQGBOZKUGDVMJ-UHFFFAOYSA-N -1 3 393.407 1.192 20 50 GDGDHM Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC000826290672 607338037 /nfs/dbraw/zinc/33/80/37/607338037.db2.gz UXQGBOZKUGDVMJ-UHFFFAOYSA-N -1 3 393.407 1.192 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000826447117 607339890 /nfs/dbraw/zinc/33/98/90/607339890.db2.gz OELMBYHATYWGNX-UHFFFAOYSA-N -1 3 377.364 1.277 20 50 GDGDHM O=C(CCn1cnc2sccc2c1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409687 607341041 /nfs/dbraw/zinc/34/10/41/607341041.db2.gz KWHCNXPDGQAYSI-UHFFFAOYSA-N -1 3 382.409 1.172 20 50 GDGDHM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825220051 607342902 /nfs/dbraw/zinc/34/29/02/607342902.db2.gz PGKJQFKKCPHCTA-BJTBTHHMSA-N -1 3 387.469 1.568 20 50 GDGDHM CN1C(=O)CC[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000826010700 607353794 /nfs/dbraw/zinc/35/37/94/607353794.db2.gz OQRIULLYCRMDRG-SJLPKXTDSA-N -1 3 391.435 1.920 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000826446459 607354670 /nfs/dbraw/zinc/35/46/70/607354670.db2.gz MMUIQHHOIVMDHP-CQSZACIVSA-N -1 3 387.469 1.402 20 50 GDGDHM Cc1c[nH]c(=O)n1-c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826242769 607356689 /nfs/dbraw/zinc/35/66/89/607356689.db2.gz FOGNURLBDXEALU-UHFFFAOYSA-N -1 3 376.380 1.823 20 50 GDGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1N1CCNC1=O ZINC000826259846 607713688 /nfs/dbraw/zinc/71/36/88/607713688.db2.gz JHAXZSUYIFZNTD-UHFFFAOYSA-N -1 3 378.396 1.462 20 50 GDGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1N1CCNC1=O ZINC000826259846 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ZINC000823277806 607052488 /nfs/dbraw/zinc/05/24/88/607052488.db2.gz XDJUFSFPFGYKGO-UHFFFAOYSA-N -1 3 399.361 1.558 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc(-c2nnn[n-]2)n1C ZINC000826235533 607824961 /nfs/dbraw/zinc/82/49/61/607824961.db2.gz LNFPCVNFBRWICO-ZAINAHDPSA-N -1 3 393.451 1.494 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc(-c2nn[n-]n2)n1C ZINC000826235533 607824962 /nfs/dbraw/zinc/82/49/62/607824962.db2.gz LNFPCVNFBRWICO-ZAINAHDPSA-N -1 3 393.451 1.494 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](C3CCOCC3)C2)cc(-c2nnn[n-]2)n1C ZINC000826235302 607862143 /nfs/dbraw/zinc/86/21/43/607862143.db2.gz HGKHBPPFZIOUSB-GESOSKEOSA-N -1 3 395.467 1.696 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](C3CCOCC3)C2)cc(-c2nn[n-]n2)n1C ZINC000826235302 607862144 /nfs/dbraw/zinc/86/21/44/607862144.db2.gz HGKHBPPFZIOUSB-GESOSKEOSA-N -1 3 395.467 1.696 20 50 GDGDHM Cc1cc(C)n2c(C=NNC(=O)COc3ccc(-c4nn[n-]n4)cc3)cnc2n1 ZINC000826265805 607881996 /nfs/dbraw/zinc/88/19/96/607881996.db2.gz NSTFVVXIUXJOLA-UHFFFAOYSA-N -1 3 391.395 1.055 20 50 GDGDHM CC(=O)Nc1ccccc1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824005477 607882494 /nfs/dbraw/zinc/88/24/94/607882494.db2.gz UPYRURARVDXULT-UHFFFAOYSA-N -1 3 379.380 1.354 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](c3nccn3C)C2)cc(-c2nn[n-]n2)n1C ZINC000826235432 607913766 /nfs/dbraw/zinc/91/37/66/607913766.db2.gz JUHQKHUDUKQYRT-PBTLCFMXSA-N -1 3 391.439 1.170 20 50 GDGDHM Cc1cccc(N(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000826299228 607921756 /nfs/dbraw/zinc/92/17/56/607921756.db2.gz WIGKKLFMYRQJMS-UHFFFAOYSA-N -1 3 379.424 1.381 20 50 GDGDHM Cc1cccc(N(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000826299228 607921757 /nfs/dbraw/zinc/92/17/57/607921757.db2.gz WIGKKLFMYRQJMS-UHFFFAOYSA-N -1 3 379.424 1.381 20 50 GDGDHM COc1ccc2c(c1)OC[C@@H]2CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826212974 608025935 /nfs/dbraw/zinc/02/59/35/608025935.db2.gz HJTYRMNZGGFLAS-ZDUSSCGKSA-N -1 3 394.391 1.203 20 50 GDGDHM COc1ccc2c(c1)OC[C@@H]2CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826212974 608025936 /nfs/dbraw/zinc/02/59/36/608025936.db2.gz HJTYRMNZGGFLAS-ZDUSSCGKSA-N -1 3 394.391 1.203 20 50 GDGDHM CCOC(=O)C[C@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825499447 608078538 /nfs/dbraw/zinc/07/85/38/608078538.db2.gz NHIYKWYPTOGGDJ-NGPAHMQLSA-N -1 3 385.428 1.126 20 50 GDGDHM CCOC(=O)C[C@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825499447 608078539 /nfs/dbraw/zinc/07/85/39/608078539.db2.gz NHIYKWYPTOGGDJ-NGPAHMQLSA-N -1 3 385.428 1.126 20 50 GDGDHM O=C(NNC(=O)N(CC(F)F)CC1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444326 608091398 /nfs/dbraw/zinc/09/13/98/608091398.db2.gz AZVRQQVBXYSDOB-UHFFFAOYSA-N -1 3 379.371 1.588 20 50 GDGDHM O=C(NNC(=O)N(CC(F)F)CC1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444326 608091399 /nfs/dbraw/zinc/09/13/99/608091399.db2.gz AZVRQQVBXYSDOB-UHFFFAOYSA-N -1 3 379.371 1.588 20 50 GDGDHM Nc1c(Cl)cc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826395776 608121011 /nfs/dbraw/zinc/12/10/11/608121011.db2.gz SGSVCDPZSTZXNS-UHFFFAOYSA-N -1 3 392.206 1.831 20 50 GDGDHM Nc1c(Cl)cc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826395776 608121012 /nfs/dbraw/zinc/12/10/12/608121012.db2.gz SGSVCDPZSTZXNS-UHFFFAOYSA-N -1 3 392.206 1.831 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cnc2[nH]cnc2c1 ZINC000826446358 608171509 /nfs/dbraw/zinc/17/15/09/608171509.db2.gz IQKFFULFSCNBCS-UHFFFAOYSA-N -1 3 389.301 1.914 20 50 GDGDHM Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826283187 608197304 /nfs/dbraw/zinc/19/73/04/608197304.db2.gz MOBCYRPKLYWCSL-BLLLJJGKSA-N -1 3 380.408 1.101 20 50 GDGDHM Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826283187 608197307 /nfs/dbraw/zinc/19/73/07/608197307.db2.gz MOBCYRPKLYWCSL-BLLLJJGKSA-N -1 3 380.408 1.101 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)cc(-c2nnn[n-]2)n1C ZINC000826235424 608278986 /nfs/dbraw/zinc/27/89/86/608278986.db2.gz JSAMEIGNNKHIME-YOMXJOFGSA-N -1 3 383.456 1.740 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000826235424 608278988 /nfs/dbraw/zinc/27/89/88/608278988.db2.gz JSAMEIGNNKHIME-YOMXJOFGSA-N -1 3 383.456 1.740 20 50 GDGDHM CCO/C=C(/C#N)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825581654 608641949 /nfs/dbraw/zinc/64/19/49/608641949.db2.gz CLVCBSMOOVGYKI-QBFSEMIESA-N -1 3 383.412 1.512 20 50 GDGDHM CCO/C=C(/C#N)C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825581654 608641951 /nfs/dbraw/zinc/64/19/51/608641951.db2.gz CLVCBSMOOVGYKI-QBFSEMIESA-N -1 3 383.412 1.512 20 50 GDGDHM COc1cc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826179044 608883602 /nfs/dbraw/zinc/88/36/02/608883602.db2.gz WUVNNAFNAYAMDD-UHFFFAOYSA-N -1 3 397.351 1.313 20 50 GDGDHM Cc1cc(C(=O)NNc2cccc(C#N)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259873 609165335 /nfs/dbraw/zinc/16/53/35/609165335.db2.gz KKWLQEFUSDZWGG-UHFFFAOYSA-N -1 3 385.391 1.989 20 50 GDGDHM Cc1cc(C(=O)NNc2cccc(C#N)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259873 609165336 /nfs/dbraw/zinc/16/53/36/609165336.db2.gz KKWLQEFUSDZWGG-UHFFFAOYSA-N -1 3 385.391 1.989 20 50 GDGDHM Cc1nc2c(s1)[C@@H](NC(=O)NNC(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000826328169 609192590 /nfs/dbraw/zinc/19/25/90/609192590.db2.gz HTUUZVYWZSZBKU-ZDUSSCGKSA-N -1 3 398.452 1.653 20 50 GDGDHM Cc1nc2c(s1)[C@@H](NC(=O)NNC(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000826328169 609192592 /nfs/dbraw/zinc/19/25/92/609192592.db2.gz HTUUZVYWZSZBKU-ZDUSSCGKSA-N -1 3 398.452 1.653 20 50 GDGDHM CN(NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)C(N)=O ZINC000826004097 609397394 /nfs/dbraw/zinc/39/73/94/609397394.db2.gz IITFHFYXBYZFAS-UHFFFAOYSA-N -1 3 387.787 1.968 20 50 GDGDHM CN(NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)C(N)=O ZINC000826004097 609397396 /nfs/dbraw/zinc/39/73/96/609397396.db2.gz IITFHFYXBYZFAS-UHFFFAOYSA-N -1 3 387.787 1.968 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@@H]2CCCC[C@H]2O)cc(-c2nnn[n-]2)n1C ZINC000826235921 609405212 /nfs/dbraw/zinc/40/52/12/609405212.db2.gz UPYWRCZRGRNJOZ-UDHHINAGSA-N -1 3 383.456 1.430 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@@H]2CCCC[C@H]2O)cc(-c2nn[n-]n2)n1C ZINC000826235921 609405213 /nfs/dbraw/zinc/40/52/13/609405213.db2.gz UPYWRCZRGRNJOZ-UDHHINAGSA-N -1 3 383.456 1.430 20 50 GDGDHM O=C(CCSc1ccc(F)cc1)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826407875 609411575 /nfs/dbraw/zinc/41/15/75/609411575.db2.gz GCVWGWNZVIXBRH-UHFFFAOYSA-N -1 3 375.389 1.277 20 50 GDGDHM O=C(CCSc1ccc(F)cc1)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826407875 609411577 /nfs/dbraw/zinc/41/15/77/609411577.db2.gz GCVWGWNZVIXBRH-UHFFFAOYSA-N -1 3 375.389 1.277 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cccc(N(C)C)n2)cc(-c2nn[n-]n2)n1C ZINC000826235328 609427774 /nfs/dbraw/zinc/42/77/74/609427774.db2.gz HOSLBELXDPZMCC-MDWZMJQESA-N -1 3 377.412 1.520 20 50 GDGDHM COCC[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000826154823 609601618 /nfs/dbraw/zinc/60/16/18/609601618.db2.gz YIJNNRKAZVVUOK-CYBMUJFWSA-N -1 3 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3 395.362 1.439 20 50 GDGDHM CCNC(=O)N(C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825470989 608874250 /nfs/dbraw/zinc/87/42/50/608874250.db2.gz KYXKMNWMUGHFMW-UHFFFAOYSA-N -1 3 381.396 1.965 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(C)(C)OC2(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235730 609399671 /nfs/dbraw/zinc/39/96/71/609399671.db2.gz PREDKVPEFMUBBI-QLBUUCPGSA-N -1 3 383.456 1.883 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(C)(C)OC2(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235730 609399672 /nfs/dbraw/zinc/39/96/72/609399672.db2.gz PREDKVPEFMUBBI-QLBUUCPGSA-N -1 3 383.456 1.883 20 50 GDGDHM COc1ccc2[nH]c(=NNC(=O)c3ccc(-c4nnn[n-]4)cn3)c(C)cc2c1 ZINC000826213733 609401267 /nfs/dbraw/zinc/40/12/67/609401267.db2.gz KEDCRQQARZVIKJ-UHFFFAOYSA-N -1 3 376.380 1.884 20 50 GDGDHM COc1ccc2[nH]c(=NNC(=O)c3ccc(-c4nn[n-]n4)cn3)c(C)cc2c1 ZINC000826213733 609401268 /nfs/dbraw/zinc/40/12/68/609401268.db2.gz KEDCRQQARZVIKJ-UHFFFAOYSA-N -1 3 376.380 1.884 20 50 GDGDHM O=C(CCCc1ccccc1)NNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737836354 945135084 /nfs/dbraw/zinc/13/50/84/945135084.db2.gz MDPZDJXHPPHTNT-UHFFFAOYSA-N -1 3 379.424 1.449 20 50 GDGDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NNC(=O)CCc1ccccc1O ZINC000737853579 945138968 /nfs/dbraw/zinc/13/89/68/945138968.db2.gz NKHVGEYPIDZLIZ-UHFFFAOYSA-N -1 3 380.408 1.285 20 50 GDGDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NNC(=O)CCc1ccccc1O ZINC000737853579 945138972 /nfs/dbraw/zinc/13/89/72/945138972.db2.gz NKHVGEYPIDZLIZ-UHFFFAOYSA-N -1 3 380.408 1.285 20 50 GDGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNC(=O)c1cccc2ncccc21 ZINC000737925583 945155245 /nfs/dbraw/zinc/15/52/45/945155245.db2.gz WFZJICISIXOOCV-UHFFFAOYSA-N -1 3 389.375 1.255 20 50 GDGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNC(=O)c1cccc2ncccc21 ZINC000737925583 945155253 /nfs/dbraw/zinc/15/52/53/945155253.db2.gz WFZJICISIXOOCV-UHFFFAOYSA-N -1 3 389.375 1.255 20 50 GDGDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NNc1ccc(Cl)nn1 ZINC000737932784 945160232 /nfs/dbraw/zinc/16/02/32/945160232.db2.gz PVBHAJFQEOTIEO-UHFFFAOYSA-N -1 3 376.833 1.687 20 50 GDGDHM O=C(Cn1ccc2ccccc21)NNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737986425 945170727 /nfs/dbraw/zinc/17/07/27/945170727.db2.gz IYBTVNXHALSGOI-UHFFFAOYSA-N -1 3 376.380 1.674 20 50 GDGDHM O=C(Cn1ccc2ccccc21)NNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737986425 945170731 /nfs/dbraw/zinc/17/07/31/945170731.db2.gz IYBTVNXHALSGOI-UHFFFAOYSA-N -1 3 376.380 1.674 20 50 GDGDHM O=C(NCCSc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738085915 945185323 /nfs/dbraw/zinc/18/53/23/945185323.db2.gz QBADWYBNLIUHAF-UHFFFAOYSA-N -1 3 383.437 1.603 20 50 GDGDHM O=C(NCCSc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738085915 945185330 /nfs/dbraw/zinc/18/53/30/945185330.db2.gz QBADWYBNLIUHAF-UHFFFAOYSA-N -1 3 383.437 1.603 20 50 GDGDHM O=C(NN=C1CCS(=O)(=O)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738129728 945204652 /nfs/dbraw/zinc/20/46/52/945204652.db2.gz WKVUASPRNIYKRY-UHFFFAOYSA-N -1 3 382.405 1.178 20 50 GDGDHM O=C(NN=C1CCS(=O)(=O)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738129728 945204657 /nfs/dbraw/zinc/20/46/57/945204657.db2.gz WKVUASPRNIYKRY-UHFFFAOYSA-N -1 3 382.405 1.178 20 50 GDGDHM O=C(NNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738130854 945212374 /nfs/dbraw/zinc/21/23/74/945212374.db2.gz XRWWFYJWCCITIA-OCCSQVGLSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738130854 945212379 /nfs/dbraw/zinc/21/23/79/945212379.db2.gz XRWWFYJWCCITIA-OCCSQVGLSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)C1CC1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738130889 945212429 /nfs/dbraw/zinc/21/24/29/945212429.db2.gz YKBKLYRGHCGFSU-UHFFFAOYSA-N -1 3 378.392 1.617 20 50 GDGDHM O=C(NNC(=O)C1CC1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738130889 945212435 /nfs/dbraw/zinc/21/24/35/945212435.db2.gz YKBKLYRGHCGFSU-UHFFFAOYSA-N -1 3 378.392 1.617 20 50 GDGDHM O=C(NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)NC1CCCC1 ZINC000738130988 945212449 /nfs/dbraw/zinc/21/24/49/945212449.db2.gz YVGFNVJPIQAJNQ-HNNXBMFYSA-N -1 3 384.444 1.109 20 50 GDGDHM O=C(NNC(=O)[C@H]1C[C@@]12CCOc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000738130897 945213789 /nfs/dbraw/zinc/21/37/89/945213789.db2.gz YKMJEAKXAQHKOC-FOIQADDNSA-N -1 3 390.403 1.368 20 50 GDGDHM O=C(NNC(=O)[C@H]1C[C@@]12CCOc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000738130897 945213795 /nfs/dbraw/zinc/21/37/95/945213795.db2.gz YKMJEAKXAQHKOC-FOIQADDNSA-N -1 3 390.403 1.368 20 50 GDGDHM O=C(NNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)NC1CC1 ZINC000738134101 945214555 /nfs/dbraw/zinc/21/45/55/945214555.db2.gz DZPNOGNRZDTJRB-UHFFFAOYSA-N -1 3 378.396 1.717 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)NC1C2CC3CC(C2)CC1C3 ZINC000738135734 945226385 /nfs/dbraw/zinc/22/63/85/945226385.db2.gz BEVXGYFABKQMLW-UHFFFAOYSA-N -1 3 381.440 1.635 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)NC1C2CC3CC(C2)CC1C3 ZINC000738135734 945226396 /nfs/dbraw/zinc/22/63/96/945226396.db2.gz BEVXGYFABKQMLW-UHFFFAOYSA-N -1 3 381.440 1.635 20 50 GDGDHM O=C(NNC(=O)c1ccc(-n2cccc2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738135881 945229108 /nfs/dbraw/zinc/22/91/08/945229108.db2.gz CSLQKZDVTCTFOZ-UHFFFAOYSA-N -1 3 391.366 1.871 20 50 GDGDHM O=C(NNC(=O)c1ccc(-n2cccc2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738135881 945229114 /nfs/dbraw/zinc/22/91/14/945229114.db2.gz CSLQKZDVTCTFOZ-UHFFFAOYSA-N -1 3 391.366 1.871 20 50 GDGDHM O=C(NNC(=O)N1CCN(c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738137654 945246696 /nfs/dbraw/zinc/24/66/96/945246696.db2.gz XEHFOSSIBDSPDK-UHFFFAOYSA-N -1 3 392.423 1.043 20 50 GDGDHM O=C(NNC(=O)N1CCN(c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738137654 945246701 /nfs/dbraw/zinc/24/67/01/945246701.db2.gz XEHFOSSIBDSPDK-UHFFFAOYSA-N -1 3 392.423 1.043 20 50 GDGDHM CC(=O)N1CCC(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000819789133 945290313 /nfs/dbraw/zinc/29/03/13/945290313.db2.gz IXMZAEIOZPVHHI-UHFFFAOYSA-N -1 3 397.361 1.587 20 50 GDGDHM CC(=O)N1CCC(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000819789133 945290324 /nfs/dbraw/zinc/29/03/24/945290324.db2.gz IXMZAEIOZPVHHI-UHFFFAOYSA-N -1 3 397.361 1.587 20 50 GDGDHM CC(C)(C)OC(=O)NCCC=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000819940297 945315785 /nfs/dbraw/zinc/31/57/85/945315785.db2.gz WCHWCMFGDQLJBX-UHFFFAOYSA-N -1 3 389.416 1.262 20 50 GDGDHM CC(C)(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCCCO1 ZINC000819980280 945322394 /nfs/dbraw/zinc/32/23/94/945322394.db2.gz BSIYKJHVEKIIOM-CQSZACIVSA-N -1 3 387.444 1.406 20 50 GDGDHM CC(C)(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCCCO1 ZINC000819980280 945322406 /nfs/dbraw/zinc/32/24/06/945322406.db2.gz BSIYKJHVEKIIOM-CQSZACIVSA-N -1 3 387.444 1.406 20 50 GDGDHM C#CCOc1ccccc1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735387630 944645113 /nfs/dbraw/zinc/64/51/13/944645113.db2.gz CQEFJLRZSMXTEE-UHFFFAOYSA-N -1 3 391.391 1.023 20 50 GDGDHM C#CCOc1ccccc1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735387630 944645123 /nfs/dbraw/zinc/64/51/23/944645123.db2.gz CQEFJLRZSMXTEE-UHFFFAOYSA-N -1 3 391.391 1.023 20 50 GDGDHM C=CC[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735410355 944648443 /nfs/dbraw/zinc/64/84/43/944648443.db2.gz ZTOMURHJVBFGKX-HNNXBMFYSA-N -1 3 378.396 1.523 20 50 GDGDHM C=CC[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735410355 944648447 /nfs/dbraw/zinc/64/84/47/944648447.db2.gz ZTOMURHJVBFGKX-HNNXBMFYSA-N -1 3 378.396 1.523 20 50 GDGDHM CC(C)OC(=O)N1CCC(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735894640 944712310 /nfs/dbraw/zinc/71/23/10/944712310.db2.gz JHTSPZDDDFXYOG-UHFFFAOYSA-N -1 3 388.432 1.502 20 50 GDGDHM CC(C)OC(=O)N1CCC(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735894640 944712318 /nfs/dbraw/zinc/71/23/18/944712318.db2.gz JHTSPZDDDFXYOG-UHFFFAOYSA-N -1 3 388.432 1.502 20 50 GDGDHM C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736184254 944755531 /nfs/dbraw/zinc/75/55/31/944755531.db2.gz XCGACYUOPVLJDS-SNVBAGLBSA-N -1 3 386.799 1.749 20 50 GDGDHM C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736184254 944755537 /nfs/dbraw/zinc/75/55/37/944755537.db2.gz XCGACYUOPVLJDS-SNVBAGLBSA-N -1 3 386.799 1.749 20 50 GDGDHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736298404 944790302 /nfs/dbraw/zinc/79/03/02/944790302.db2.gz PRCLHYVBEATSEV-BDJLRTHQSA-N -1 3 377.408 1.744 20 50 GDGDHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736298404 944790305 /nfs/dbraw/zinc/79/03/05/944790305.db2.gz PRCLHYVBEATSEV-BDJLRTHQSA-N -1 3 377.408 1.744 20 50 GDGDHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736302053 944792716 /nfs/dbraw/zinc/79/27/16/944792716.db2.gz PQNCLXSRAOSASW-LLVKDONJSA-N -1 3 395.398 1.980 20 50 GDGDHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736302053 944792722 /nfs/dbraw/zinc/79/27/22/944792722.db2.gz PQNCLXSRAOSASW-LLVKDONJSA-N -1 3 395.398 1.980 20 50 GDGDHM C[C@H]1c2ccc(F)cc2CCN1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736305748 944794334 /nfs/dbraw/zinc/79/43/34/944794334.db2.gz ZEOWKFQBDDOLDG-NSHDSACASA-N -1 3 395.398 1.980 20 50 GDGDHM C[C@H]1c2ccc(F)cc2CCN1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736305748 944794338 /nfs/dbraw/zinc/79/43/38/944794338.db2.gz ZEOWKFQBDDOLDG-NSHDSACASA-N -1 3 395.398 1.980 20 50 GDGDHM CCn1cc(CN(C)C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cn1 ZINC000736721732 944879597 /nfs/dbraw/zinc/87/95/97/944879597.db2.gz JHUVHDLDCSHWID-UUASQNMZSA-N -1 3 379.428 1.296 20 50 GDGDHM CN(C)c1ccc(NC(=S)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736781034 944890076 /nfs/dbraw/zinc/89/00/76/944890076.db2.gz VIHOQADNFAQNSH-UHFFFAOYSA-N -1 3 382.453 1.564 20 50 GDGDHM CN(C)c1ccc(NC(=S)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736781034 944890082 /nfs/dbraw/zinc/89/00/82/944890082.db2.gz VIHOQADNFAQNSH-UHFFFAOYSA-N -1 3 382.453 1.564 20 50 GDGDHM CN(CCOc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736801887 944893879 /nfs/dbraw/zinc/89/38/79/944893879.db2.gz MNCUMYLDJWXBMO-UHFFFAOYSA-N -1 3 399.386 1.371 20 50 GDGDHM CN(CCOc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736801887 944893887 /nfs/dbraw/zinc/89/38/87/944893887.db2.gz MNCUMYLDJWXBMO-UHFFFAOYSA-N -1 3 399.386 1.371 20 50 GDGDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NNC(=O)COCc1ccccc1 ZINC000736819266 944895640 /nfs/dbraw/zinc/89/56/40/944895640.db2.gz CHJAWMGAJCNJKO-UHFFFAOYSA-N -1 3 395.423 1.256 20 50 GDGDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NNC(=O)COCc1ccccc1 ZINC000736819266 944895644 /nfs/dbraw/zinc/89/56/44/944895644.db2.gz CHJAWMGAJCNJKO-UHFFFAOYSA-N -1 3 395.423 1.256 20 50 GDGDHM COC(=O)c1cc(OC(=O)c2sccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000736951346 944917117 /nfs/dbraw/zinc/91/71/17/944917117.db2.gz RTQPYWNQJMEFDV-UHFFFAOYSA-N -1 3 375.322 1.842 20 50 GDGDHM COC(=O)c1coc(COC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)c1 ZINC000736956664 944918914 /nfs/dbraw/zinc/91/89/14/944918914.db2.gz HNKQVPNHNHQCLK-QCDXTXTGSA-N -1 3 396.363 1.544 20 50 GDGDHM COC(=O)c1coc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)c1 ZINC000736956664 944918919 /nfs/dbraw/zinc/91/89/19/944918919.db2.gz HNKQVPNHNHQCLK-QCDXTXTGSA-N -1 3 396.363 1.544 20 50 GDGDHM COc1ccc(C)cc1CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737077554 944949130 /nfs/dbraw/zinc/94/91/30/944949130.db2.gz QUCWQBXLQBFCHO-UHFFFAOYSA-N -1 3 395.423 1.370 20 50 GDGDHM COc1ccc(C)cc1CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737077554 944949135 /nfs/dbraw/zinc/94/91/35/944949135.db2.gz QUCWQBXLQBFCHO-UHFFFAOYSA-N -1 3 395.423 1.370 20 50 GDGDHM COc1ccc(F)cc1[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737100230 944959101 /nfs/dbraw/zinc/95/91/01/944959101.db2.gz SVZAMQQGFWRSAL-SNVBAGLBSA-N -1 3 399.386 1.720 20 50 GDGDHM COc1ccc(F)cc1[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737100230 944959104 /nfs/dbraw/zinc/95/91/04/944959104.db2.gz SVZAMQQGFWRSAL-SNVBAGLBSA-N -1 3 399.386 1.720 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cnn(CC(F)F)c2)cc(-c2nn[n-]n2)n1C ZINC000737211548 944986161 /nfs/dbraw/zinc/98/61/61/944986161.db2.gz CTDLEKYVPPMHOD-JYOAFUTRSA-N -1 3 387.354 1.521 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCc3c2cccc3O)cc(-c2nn[n-]n2)n1C ZINC000737211535 944986231 /nfs/dbraw/zinc/98/62/31/944986231.db2.gz CKSCGKNRFLREJI-OIQJVACTSA-N -1 3 389.419 1.930 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc(-c2nnn[n-]2)n1C ZINC000737211612 944987547 /nfs/dbraw/zinc/98/75/47/944987547.db2.gz DOVSWQJRJHSHQJ-ARBDRYOBSA-N -1 3 381.440 1.591 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc(-c2nn[n-]n2)n1C ZINC000737211612 944987551 /nfs/dbraw/zinc/98/75/51/944987551.db2.gz DOVSWQJRJHSHQJ-ARBDRYOBSA-N -1 3 381.440 1.591 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](n3ccnc3)C2)cc(-c2nn[n-]n2)n1C ZINC000737213818 945007846 /nfs/dbraw/zinc/00/78/46/945007846.db2.gz XPAGGJKSYGWEQG-MVMZHWFQSA-N -1 3 391.439 1.481 20 50 GDGDHM Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000737371700 945052132 /nfs/dbraw/zinc/05/21/32/945052132.db2.gz ISSZTCAOAMSRRH-INIZCTEOSA-N -1 3 377.408 1.807 20 50 GDGDHM Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000737371700 945052144 /nfs/dbraw/zinc/05/21/44/945052144.db2.gz ISSZTCAOAMSRRH-INIZCTEOSA-N -1 3 377.408 1.807 20 50 GDGDHM C[C@H](CCOc1ccccc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820249329 945394310 /nfs/dbraw/zinc/39/43/10/945394310.db2.gz UTHMNKZLYFMUFE-CYBMUJFWSA-N -1 3 380.408 1.733 20 50 GDGDHM C[C@H](CCOc1ccccc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820249329 945394325 /nfs/dbraw/zinc/39/43/25/945394325.db2.gz UTHMNKZLYFMUFE-CYBMUJFWSA-N -1 3 380.408 1.733 20 50 GDGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)NCc1ccccc1 ZINC000820529780 945477050 /nfs/dbraw/zinc/47/70/50/945477050.db2.gz RQVIFEMORKDSQX-GFCCVEGCSA-N -1 3 381.396 1.165 20 50 GDGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NN=c1nc[nH]c2ccsc21 ZINC000820542195 945481735 /nfs/dbraw/zinc/48/17/35/945481735.db2.gz MCWLYJSHQJUIQW-VIFPVBQESA-N -1 3 382.409 1.782 20 50 GDGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NN=c1nc[nH]c2ccsc21 ZINC000820542195 945481739 /nfs/dbraw/zinc/48/17/39/945481739.db2.gz MCWLYJSHQJUIQW-VIFPVBQESA-N -1 3 382.409 1.782 20 50 GDGDHM C[C@@H]1CCC[C@@H](C)C1NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820691543 945528412 /nfs/dbraw/zinc/52/84/12/945528412.db2.gz YIEVPEOLMDKKEG-VXGBXAGGSA-N -1 3 387.444 1.401 20 50 GDGDHM C[C@H]1Cc2ccccc2CN1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820813624 945558420 /nfs/dbraw/zinc/55/84/20/945558420.db2.gz KVGGPLBGFTXWEW-LBPRGKRZSA-N -1 3 377.408 1.668 20 50 GDGDHM C[C@H]1Cc2ccccc2CN1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820813624 945558441 /nfs/dbraw/zinc/55/84/41/945558441.db2.gz KVGGPLBGFTXWEW-LBPRGKRZSA-N -1 3 377.408 1.668 20 50 GDGDHM CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939433 945594311 /nfs/dbraw/zinc/59/43/11/945594311.db2.gz UCGGWFZHBNQILB-MRXNPFEDSA-N -1 3 380.408 1.794 20 50 GDGDHM CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939433 945594317 /nfs/dbraw/zinc/59/43/17/945594317.db2.gz UCGGWFZHBNQILB-MRXNPFEDSA-N -1 3 380.408 1.794 20 50 GDGDHM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820958461 945599170 /nfs/dbraw/zinc/59/91/70/945599170.db2.gz VNSVLPUFCBUURD-UONOGXRCSA-N -1 3 387.444 1.404 20 50 GDGDHM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820958461 945599176 /nfs/dbraw/zinc/59/91/76/945599176.db2.gz VNSVLPUFCBUURD-UONOGXRCSA-N -1 3 387.444 1.404 20 50 GDGDHM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821448369 945697128 /nfs/dbraw/zinc/69/71/28/945697128.db2.gz NJONKBIMLIJASY-FJWQHWMGSA-N -1 3 377.474 1.573 20 50 GDGDHM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821448369 945697135 /nfs/dbraw/zinc/69/71/35/945697135.db2.gz NJONKBIMLIJASY-FJWQHWMGSA-N -1 3 377.474 1.573 20 50 GDGDHM COC(=O)[C@H](NNC(=O)C(C)(C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644606 945770287 /nfs/dbraw/zinc/77/02/87/945770287.db2.gz DLGYXRBZGHVPMH-MRXNPFEDSA-N -1 3 394.435 1.679 20 50 GDGDHM COC(=O)[C@H](NNC(=O)C(C)(C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644606 945770290 /nfs/dbraw/zinc/77/02/90/945770290.db2.gz DLGYXRBZGHVPMH-MRXNPFEDSA-N -1 3 394.435 1.679 20 50 GDGDHM COc1cc(C(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)ccc1OC(C)C ZINC000821702975 945838084 /nfs/dbraw/zinc/83/80/84/945838084.db2.gz JMCFZVGKVACQIW-UHFFFAOYSA-N -1 3 385.384 1.065 20 50 GDGDHM COc1cc(C(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)ccc1OC(C)C ZINC000821702975 945838099 /nfs/dbraw/zinc/83/80/99/945838099.db2.gz JMCFZVGKVACQIW-UHFFFAOYSA-N -1 3 385.384 1.065 20 50 GDGDHM COc1cc(Cl)ccc1C(=O)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821716599 945846970 /nfs/dbraw/zinc/84/69/70/945846970.db2.gz BHAAICVUNDIFNC-UHFFFAOYSA-N -1 3 386.799 1.532 20 50 GDGDHM COc1ccc(NNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000821835938 945881813 /nfs/dbraw/zinc/88/18/13/945881813.db2.gz UGAXOAXVUCHWEW-UHFFFAOYSA-N -1 3 384.356 1.339 20 50 GDGDHM COc1cccc(CCNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000821867616 945889286 /nfs/dbraw/zinc/88/92/86/945889286.db2.gz GDTRZFHMXGXINT-NTEUORMPSA-N -1 3 392.423 1.183 20 50 GDGDHM COc1cccc(CCNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000821867616 945889293 /nfs/dbraw/zinc/88/92/93/945889293.db2.gz GDTRZFHMXGXINT-NTEUORMPSA-N -1 3 392.423 1.183 20 50 GDGDHM CS(=O)(=O)CCCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821926293 945905996 /nfs/dbraw/zinc/90/59/96/945905996.db2.gz FKTXIZGMGVYOEQ-UHFFFAOYSA-N -1 3 392.363 1.153 20 50 GDGDHM CS(=O)(=O)CCCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821926293 945906004 /nfs/dbraw/zinc/90/60/04/945906004.db2.gz FKTXIZGMGVYOEQ-UHFFFAOYSA-N -1 3 392.363 1.153 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)Cc2cccc(O)c2)cc(-c2nn[n-]n2)n1C ZINC000822027525 945933395 /nfs/dbraw/zinc/93/33/95/945933395.db2.gz IENFALNPKYFUIS-DZZSIBQASA-N -1 3 391.435 1.874 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CC(CC(F)(F)F)C2)cc(-c2nnn[n-]2)n1C ZINC000822028545 945943693 /nfs/dbraw/zinc/94/36/93/945943693.db2.gz PNFLVTSCMDVXBZ-KGVSQERTSA-N -1 3 379.346 1.831 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CC(CC(F)(F)F)C2)cc(-c2nn[n-]n2)n1C ZINC000822028545 945943701 /nfs/dbraw/zinc/94/37/01/945943701.db2.gz PNFLVTSCMDVXBZ-KGVSQERTSA-N -1 3 379.346 1.831 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC2(CO)CCCCC2)cc(-c2nnn[n-]2)n1C ZINC000822029419 945955874 /nfs/dbraw/zinc/95/58/74/945955874.db2.gz YIYUUETYPGZMOH-NVNXTCNLSA-N -1 3 383.456 1.480 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC2(CO)CCCCC2)cc(-c2nn[n-]n2)n1C ZINC000822029419 945955882 /nfs/dbraw/zinc/95/58/82/945955882.db2.gz YIYUUETYPGZMOH-NVNXTCNLSA-N -1 3 383.456 1.480 20 50 GDGDHM Cc1ccc(N2CC[C@@H](NC(=O)NNc3cccc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000822240881 946025888 /nfs/dbraw/zinc/02/58/88/946025888.db2.gz CNOCLLLCBWQGHT-MRXNPFEDSA-N -1 3 392.423 1.607 20 50 GDGDHM Cc1ccc(N2CC[C@@H](NC(=O)NNc3cccc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000822240881 946025894 /nfs/dbraw/zinc/02/58/94/946025894.db2.gz CNOCLLLCBWQGHT-MRXNPFEDSA-N -1 3 392.423 1.607 20 50 GDGDHM Cc1ccc(NCC(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822254578 946032285 /nfs/dbraw/zinc/03/22/85/946032285.db2.gz NIDFMGSWIUKDRD-UHFFFAOYSA-N -1 3 379.424 1.286 20 50 GDGDHM Cc1ccc(NCC(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822254578 946032298 /nfs/dbraw/zinc/03/22/98/946032298.db2.gz NIDFMGSWIUKDRD-UHFFFAOYSA-N -1 3 379.424 1.286 20 50 GDGDHM Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)c1C ZINC000822328801 946054654 /nfs/dbraw/zinc/05/46/54/946054654.db2.gz UBVQHZCFWKABTQ-LBPRGKRZSA-N -1 3 383.412 1.051 20 50 GDGDHM Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)c1C ZINC000822328801 946054669 /nfs/dbraw/zinc/05/46/69/946054669.db2.gz UBVQHZCFWKABTQ-LBPRGKRZSA-N -1 3 383.412 1.051 20 50 GDGDHM Cc1ccccc1CC(=O)NNC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000822356268 946068846 /nfs/dbraw/zinc/06/88/46/946068846.db2.gz PUBFPINRQLWVDM-UHFFFAOYSA-N -1 3 382.449 1.657 20 50 GDGDHM Cc1ccccc1CC(=O)NNC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000822356268 946068860 /nfs/dbraw/zinc/06/88/60/946068860.db2.gz PUBFPINRQLWVDM-UHFFFAOYSA-N -1 3 382.449 1.657 20 50 GDGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)CSc1ccc(Cl)cc1 ZINC000822645566 946142454 /nfs/dbraw/zinc/14/24/54/946142454.db2.gz DUHVSUUQLQRDQB-UHFFFAOYSA-N -1 3 391.844 1.412 20 50 GDGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)CSc1ccc(Cl)cc1 ZINC000822645566 946142459 /nfs/dbraw/zinc/14/24/59/946142459.db2.gz DUHVSUUQLQRDQB-UHFFFAOYSA-N -1 3 391.844 1.412 20 50 GDGDHM O=C(CN1CC[C@@H]1c1cccc(F)c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822992780 946250823 /nfs/dbraw/zinc/25/08/23/946250823.db2.gz MEAAAQWPRKXRAR-MRXNPFEDSA-N -1 3 395.398 1.214 20 50 GDGDHM O=C(CN1CC[C@@H]1c1cccc(F)c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822992780 946250831 /nfs/dbraw/zinc/25/08/31/946250831.db2.gz MEAAAQWPRKXRAR-MRXNPFEDSA-N -1 3 395.398 1.214 20 50 GDGDHM O=C(CN1CCCc2c(F)cccc21)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822996776 946256715 /nfs/dbraw/zinc/25/67/15/946256715.db2.gz IZILNNGGGMLKFT-UHFFFAOYSA-N -1 3 395.398 1.220 20 50 GDGDHM O=C(CN1CCCc2c(F)cccc21)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822996776 946256723 /nfs/dbraw/zinc/25/67/23/946256723.db2.gz IZILNNGGGMLKFT-UHFFFAOYSA-N -1 3 395.398 1.220 20 50 GDGDHM O=C(COC(=O)CCC1CCCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018461 946272445 /nfs/dbraw/zinc/27/24/45/946272445.db2.gz ONXBFSCYPFSDIV-UHFFFAOYSA-N -1 3 386.412 1.141 20 50 GDGDHM O=C(COC(=O)CCC1CCCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018461 946272457 /nfs/dbraw/zinc/27/24/57/946272457.db2.gz ONXBFSCYPFSDIV-UHFFFAOYSA-N -1 3 386.412 1.141 20 50 GDGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)Nc1cc(F)cc(F)c1 ZINC000823049342 946293896 /nfs/dbraw/zinc/29/38/96/946293896.db2.gz CPAWNCMBEJKUPW-UHFFFAOYSA-N -1 3 389.322 1.377 20 50 GDGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)Nc1cc(F)cc(F)c1 ZINC000823049342 946293903 /nfs/dbraw/zinc/29/39/03/946293903.db2.gz CPAWNCMBEJKUPW-UHFFFAOYSA-N -1 3 389.322 1.377 20 50 GDGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)CN1CCCc2ccccc21 ZINC000823104380 946313317 /nfs/dbraw/zinc/31/33/17/946313317.db2.gz VVCBMHWBLPZVOA-UHFFFAOYSA-N -1 3 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946371233 /nfs/dbraw/zinc/37/12/33/946371233.db2.gz BTRZVMFQLNVXBB-UHFFFAOYSA-N -1 3 383.441 1.085 20 50 GDGDHM O=C(NNC(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000823273624 946386532 /nfs/dbraw/zinc/38/65/32/946386532.db2.gz SFAHFRMMRNBOKC-UWJYYQICSA-N -1 3 388.431 1.922 20 50 GDGDHM O=C(NNC(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000823273624 946386543 /nfs/dbraw/zinc/38/65/43/946386543.db2.gz SFAHFRMMRNBOKC-UWJYYQICSA-N -1 3 388.431 1.922 20 50 GDGDHM O=C(NNC(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000823273653 946386970 /nfs/dbraw/zinc/38/69/70/946386970.db2.gz SVJSPIJEVTUHBH-DYESRHJHSA-N -1 3 388.431 1.922 20 50 GDGDHM O=C(NNC(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273653 946386982 /nfs/dbraw/zinc/38/69/82/946386982.db2.gz SVJSPIJEVTUHBH-DYESRHJHSA-N -1 3 388.431 1.922 20 50 GDGDHM O=C(NNC(=O)[C@H]1SCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823273744 946387414 /nfs/dbraw/zinc/38/74/14/946387414.db2.gz 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20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](OC(F)F)C2)cc(-c2nn[n-]n2)n1C ZINC000826235806 609320308 /nfs/dbraw/zinc/32/03/08/609320308.db2.gz RTAKZGIDBJNKSD-TZQNSNDFSA-N -1 3 391.382 1.651 20 50 GDGDHM COC(=O)COc1ccc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826138169 609448188 /nfs/dbraw/zinc/44/81/88/609448188.db2.gz IHVYIDWGQFGITB-UHFFFAOYSA-N -1 3 380.364 1.182 20 50 GDGDHM COC(=O)COc1ccc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826138169 609448190 /nfs/dbraw/zinc/44/81/90/609448190.db2.gz IHVYIDWGQFGITB-UHFFFAOYSA-N -1 3 380.364 1.182 20 50 GDGDHM CCC(=O)NNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825034337 609452343 /nfs/dbraw/zinc/45/23/43/609452343.db2.gz HNOLKFYYDAMCDH-SSDOTTSWSA-N -1 3 388.375 1.924 20 50 GDGDHM CCC(=O)NNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825034337 609452346 /nfs/dbraw/zinc/45/23/46/609452346.db2.gz HNOLKFYYDAMCDH-SSDOTTSWSA-N -1 3 388.375 1.924 20 50 GDGDHM Cc1nc(C)c(CCNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)s1 ZINC000737473892 945076087 /nfs/dbraw/zinc/07/60/87/945076087.db2.gz MTNWENIMVXSNLV-VGOFMYFVSA-N -1 3 396.480 1.853 20 50 GDGDHM Cc1nc(C)c(CCNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)s1 ZINC000737473892 945076094 /nfs/dbraw/zinc/07/60/94/945076094.db2.gz MTNWENIMVXSNLV-VGOFMYFVSA-N -1 3 396.480 1.853 20 50 GDGDHM NC(=O)[C@H](NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737369 945120130 /nfs/dbraw/zinc/12/01/30/945120130.db2.gz QKIAGJBCNOVXFW-GAURAVSJSA-N -1 3 395.467 1.230 20 50 GDGDHM NC(=O)[C@H](NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737369 945120138 /nfs/dbraw/zinc/12/01/38/945120138.db2.gz QKIAGJBCNOVXFW-GAURAVSJSA-N -1 3 395.467 1.230 20 50 GDGDHM O=C(COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)NN=C1CCOC1 ZINC000737917056 945150504 /nfs/dbraw/zinc/15/05/04/945150504.db2.gz TYCHDMAXRWLFPH-UHFFFAOYSA-N -1 3 378.392 1.805 20 50 GDGDHM O=C(COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)NN=C1CCOC1 ZINC000737917056 945150512 /nfs/dbraw/zinc/15/05/12/945150512.db2.gz TYCHDMAXRWLFPH-UHFFFAOYSA-N -1 3 378.392 1.805 20 50 GDGDHM O=C(Cc1ccsc1)NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737975615 945170550 /nfs/dbraw/zinc/17/05/50/945170550.db2.gz RKRYBSFOKOLVPC-HNNXBMFYSA-N -1 3 397.464 1.287 20 50 GDGDHM O=C(NCCCOc1ccc(F)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738076456 945183545 /nfs/dbraw/zinc/18/35/45/945183545.db2.gz SLJBATHISXVORL-UHFFFAOYSA-N -1 3 399.386 1.419 20 50 GDGDHM O=C(NCCCOc1ccc(F)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738076456 945183551 /nfs/dbraw/zinc/18/35/51/945183551.db2.gz SLJBATHISXVORL-UHFFFAOYSA-N -1 3 399.386 1.419 20 50 GDGDHM O=C(NCCc1cccc(Cl)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738087339 945185596 /nfs/dbraw/zinc/18/55/96/945185596.db2.gz CLLIXTSLKYBGFU-UHFFFAOYSA-N -1 3 385.815 1.707 20 50 GDGDHM O=C(NCCc1cccc(Cl)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738087339 945185607 /nfs/dbraw/zinc/18/56/07/945185607.db2.gz CLLIXTSLKYBGFU-UHFFFAOYSA-N -1 3 385.815 1.707 20 50 GDGDHM O=C(NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738130232 945209733 /nfs/dbraw/zinc/20/97/33/945209733.db2.gz OEZWOMYMMIXKTH-CHWSQXEVSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738130232 945209740 /nfs/dbraw/zinc/20/97/40/945209740.db2.gz OEZWOMYMMIXKTH-CHWSQXEVSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccn1Cc1cccs1 ZINC000738134281 945219421 /nfs/dbraw/zinc/21/94/21/945219421.db2.gz JJZPLOPFBIXGHG-UHFFFAOYSA-N -1 3 393.432 1.853 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccn1Cc1cccs1 ZINC000738134281 945219428 /nfs/dbraw/zinc/21/94/28/945219428.db2.gz JJZPLOPFBIXGHG-UHFFFAOYSA-N -1 3 393.432 1.853 20 50 GDGDHM CC[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1OC ZINC000736363487 944811285 /nfs/dbraw/zinc/81/12/85/944811285.db2.gz OVQVAJRUUCHKFL-OAHLLOKOSA-N -1 3 395.423 1.971 20 50 GDGDHM CC[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1OC ZINC000736363487 944811293 /nfs/dbraw/zinc/81/12/93/944811293.db2.gz OVQVAJRUUCHKFL-OAHLLOKOSA-N -1 3 395.423 1.971 20 50 GDGDHM CCCN(C)c1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736471176 944828874 /nfs/dbraw/zinc/82/88/74/944828874.db2.gz IJHNTBWATUWCFW-UHFFFAOYSA-N -1 3 379.424 1.788 20 50 GDGDHM CCCN(C)c1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736471176 944828880 /nfs/dbraw/zinc/82/88/80/944828880.db2.gz IJHNTBWATUWCFW-UHFFFAOYSA-N -1 3 379.424 1.788 20 50 GDGDHM CCNC(=O)NNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736575518 944845805 /nfs/dbraw/zinc/84/58/05/944845805.db2.gz GYGSFDKJTONVHV-UHFFFAOYSA-N -1 3 381.396 1.410 20 50 GDGDHM CCNC(=O)NNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736575518 944845810 /nfs/dbraw/zinc/84/58/10/944845810.db2.gz GYGSFDKJTONVHV-UHFFFAOYSA-N -1 3 381.396 1.410 20 50 GDGDHM CCn1cc(CN(C)C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cn1 ZINC000736721730 944878565 /nfs/dbraw/zinc/87/85/65/944878565.db2.gz JHUVHDLDCSHWID-GIDUJCDVSA-N -1 3 379.428 1.296 20 50 GDGDHM COc1ccc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000737081989 944952601 /nfs/dbraw/zinc/95/26/01/944952601.db2.gz SSPARUWLNJNGGS-UHFFFAOYSA-N -1 3 377.364 1.276 20 50 GDGDHM COc1ccc(NCC(=O)NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000737106109 944959828 /nfs/dbraw/zinc/95/98/28/944959828.db2.gz NRGLGRPNJVRQBF-UHFFFAOYSA-N -1 3 391.395 1.085 20 50 GDGDHM COc1ccc(NCC(=O)NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000737106109 944959832 /nfs/dbraw/zinc/95/98/32/944959832.db2.gz NRGLGRPNJVRQBF-UHFFFAOYSA-N -1 3 391.395 1.085 20 50 GDGDHM COc1cccc(CO[C@H](C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737133037 944965575 /nfs/dbraw/zinc/96/55/75/944965575.db2.gz WAKODKPBLKZRNQ-GFCCVEGCSA-N -1 3 396.407 1.242 20 50 GDGDHM COc1cccc(CO[C@H](C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737133037 944965583 /nfs/dbraw/zinc/96/55/83/944965583.db2.gz WAKODKPBLKZRNQ-GFCCVEGCSA-N -1 3 396.407 1.242 20 50 GDGDHM COc1ccccc1C(=O)NNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737139488 944966304 /nfs/dbraw/zinc/96/63/04/944966304.db2.gz WYRBPXFZQZDHSS-NSHDSACASA-N -1 3 381.396 1.581 20 50 GDGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000737194438 944981398 /nfs/dbraw/zinc/98/13/98/944981398.db2.gz JVMBQKZMDPRWTP-LBPRGKRZSA-N -1 3 381.396 1.337 20 50 GDGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000737194438 944981404 /nfs/dbraw/zinc/98/14/04/944981404.db2.gz JVMBQKZMDPRWTP-LBPRGKRZSA-N -1 3 381.396 1.337 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc(-c2nnn[n-]2)n1C ZINC000737211713 944986507 /nfs/dbraw/zinc/98/65/07/944986507.db2.gz DOVSWQJRJHSHQJ-ILJKRDSFSA-N -1 3 381.440 1.591 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc(-c2nn[n-]n2)n1C ZINC000737211713 944986520 /nfs/dbraw/zinc/98/65/20/944986520.db2.gz DOVSWQJRJHSHQJ-ILJKRDSFSA-N -1 3 381.440 1.591 20 50 GDGDHM Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737313718 945037762 /nfs/dbraw/zinc/03/77/62/945037762.db2.gz ZYGRSTMWGNUVLQ-LLVKDONJSA-N -1 3 384.371 1.543 20 50 GDGDHM Cc1ccc(N2CCC[C@@H](NC(=O)NNc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC000737350873 945045970 /nfs/dbraw/zinc/04/59/70/945045970.db2.gz IYCUSVAOQHPFED-OAHLLOKOSA-N -1 3 394.443 1.260 20 50 GDGDHM Cc1ccc(N2CCC[C@@H](NC(=O)NNc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC000737350873 945045982 /nfs/dbraw/zinc/04/59/82/945045982.db2.gz IYCUSVAOQHPFED-OAHLLOKOSA-N -1 3 394.443 1.260 20 50 GDGDHM Cc1cccc([C@@H](C)CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737389475 945055088 /nfs/dbraw/zinc/05/50/88/945055088.db2.gz OZMNROFFOYMVRZ-ZDUSSCGKSA-N -1 3 379.424 1.923 20 50 GDGDHM Cc1cccc([C@@H](C)CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737389475 945055098 /nfs/dbraw/zinc/05/50/98/945055098.db2.gz OZMNROFFOYMVRZ-ZDUSSCGKSA-N -1 3 379.424 1.923 20 50 GDGDHM C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820374921 945439982 /nfs/dbraw/zinc/43/99/82/945439982.db2.gz TXVKOTMHQHNBHJ-NSHDSACASA-N -1 3 383.387 1.640 20 50 GDGDHM C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820374921 945439987 /nfs/dbraw/zinc/43/99/87/945439987.db2.gz TXVKOTMHQHNBHJ-NSHDSACASA-N -1 3 383.387 1.640 20 50 GDGDHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820690448 945526394 /nfs/dbraw/zinc/52/63/94/945526394.db2.gz LZXYPQDCDSCLTJ-ATCWAGBWSA-N -1 3 387.444 1.401 20 50 GDGDHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820690448 945526402 /nfs/dbraw/zinc/52/64/02/945526402.db2.gz LZXYPQDCDSCLTJ-ATCWAGBWSA-N -1 3 387.444 1.401 20 50 GDGDHM CCNC(=O)NNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821293960 945664087 /nfs/dbraw/zinc/66/40/87/945664087.db2.gz OFPOHEOEZBTPAX-UHFFFAOYSA-N -1 3 381.396 1.931 20 50 GDGDHM CCOc1ccc(COC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)nc1 ZINC000821422020 945693263 /nfs/dbraw/zinc/69/32/63/945693263.db2.gz KBTQILFPXBHDRY-AUWJEWJLSA-N -1 3 393.407 1.958 20 50 GDGDHM CCOc1ccc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)nc1 ZINC000821422020 945693268 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ZINC000822026888 945926350 /nfs/dbraw/zinc/92/63/50/945926350.db2.gz BAPTTWYFEUJULX-UTGRISEESA-N -1 3 397.464 1.506 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCc2ccccc2O)cc(-c2nn[n-]n2)n1C ZINC000822027297 945931318 /nfs/dbraw/zinc/93/13/18/945931318.db2.gz GHAOXYMFLAMFBI-DHDCSXOGSA-N -1 3 377.408 1.485 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)Cc2cccc(O)c2)cc(-c2nn[n-]n2)n1C ZINC000822027536 945933503 /nfs/dbraw/zinc/93/35/03/945933503.db2.gz IENFALNPKYFUIS-RGZVIEDOSA-N -1 3 391.435 1.874 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)c2ccsc2)cc(-c2nnn[n-]2)n1C ZINC000822028733 945945971 /nfs/dbraw/zinc/94/59/71/945945971.db2.gz RRAWDKLGNZWKCE-BXIWPEDZSA-N -1 3 397.464 1.506 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)c2ccsc2)cc(-c2nn[n-]n2)n1C ZINC000822028733 945945976 /nfs/dbraw/zinc/94/59/76/945945976.db2.gz RRAWDKLGNZWKCE-BXIWPEDZSA-N -1 3 397.464 1.506 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)C2CCCCC2)cc(-c2nnn[n-]2)n1C ZINC000822028826 945948639 /nfs/dbraw/zinc/94/86/39/945948639.db2.gz 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Cc1c(C=C(C#N)C(=O)Nc2ccn(CC(F)F)n2)cc(-c2nn[n-]n2)n1C ZINC000822029334 945954428 /nfs/dbraw/zinc/95/44/28/945954428.db2.gz XELSWCOWNBLBAO-VZUCSPMQSA-N -1 3 387.354 1.521 20 50 GDGDHM Cc1ccc(O[C@@H](C)CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822258979 946032960 /nfs/dbraw/zinc/03/29/60/946032960.db2.gz HXRWRTUJCMXBKR-ZDUSSCGKSA-N -1 3 395.423 1.587 20 50 GDGDHM Cc1ccc(O[C@@H](C)CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822258979 946032972 /nfs/dbraw/zinc/03/29/72/946032972.db2.gz HXRWRTUJCMXBKR-ZDUSSCGKSA-N -1 3 395.423 1.587 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2COc3ccc(C)cc32)cc(-c2nnn[n-]2)n1C ZINC000822275356 946042471 /nfs/dbraw/zinc/04/24/71/946042471.db2.gz RLXLYLXLZWEVRM-ACQAZONXSA-N -1 3 389.419 1.979 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2COc3ccc(C)cc32)cc(-c2nn[n-]n2)n1C ZINC000822275356 946042480 /nfs/dbraw/zinc/04/24/80/946042480.db2.gz RLXLYLXLZWEVRM-ACQAZONXSA-N -1 3 389.419 1.979 20 50 GDGDHM O=C(CN1CCC[C@@H]1c1ccsc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 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CKTPHMLFUGGOLY-UHFFFAOYSA-N -1 3 388.338 1.122 20 50 GDGDHM O=C(NC[C@@H]1OCCc2sccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823183142 946337915 /nfs/dbraw/zinc/33/79/15/946337915.db2.gz RRAZBRITLCXHAY-ZDUSSCGKSA-N -1 3 399.436 1.186 20 50 GDGDHM O=C(NC[C@@H]1OCCc2sccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823183142 946337930 /nfs/dbraw/zinc/33/79/30/946337930.db2.gz RRAZBRITLCXHAY-ZDUSSCGKSA-N -1 3 399.436 1.186 20 50 GDGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)c1ccc2c(c1)OCO2 ZINC000823269395 946363124 /nfs/dbraw/zinc/36/31/24/946363124.db2.gz FDGXPYYPWFSOGK-UHFFFAOYSA-N -1 3 375.348 1.841 20 50 GDGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)c1ccc2c(c1)OCO2 ZINC000823269395 946363134 /nfs/dbraw/zinc/36/31/34/946363134.db2.gz FDGXPYYPWFSOGK-UHFFFAOYSA-N -1 3 375.348 1.841 20 50 GDGDHM CC(C)(C)OC(=O)Nc1cnc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000824114337 946593814 /nfs/dbraw/zinc/59/38/14/946593814.db2.gz OVRGGMOZSGGGLG-UHFFFAOYSA-N -1 3 397.399 1.761 20 50 GDGDHM CC(C)CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824255726 946636139 /nfs/dbraw/zinc/63/61/39/946636139.db2.gz VERUOGPDMMXMHE-UHFFFAOYSA-N -1 3 393.451 1.790 20 50 GDGDHM CC(C)CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824255726 946636146 /nfs/dbraw/zinc/63/61/46/946636146.db2.gz VERUOGPDMMXMHE-UHFFFAOYSA-N -1 3 393.451 1.790 20 50 GDGDHM CS(=O)(=O)c1cccc(NNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826224185 947661092 /nfs/dbraw/zinc/66/10/92/947661092.db2.gz SLVGCFVJFSLYRW-MDZDMXLPSA-N -1 3 384.421 1.427 20 50 GDGDHM CS(=O)(=O)c1cccc(NNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826224185 947661103 /nfs/dbraw/zinc/66/11/03/947661103.db2.gz SLVGCFVJFSLYRW-MDZDMXLPSA-N -1 3 384.421 1.427 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(O)c(O)c2)cc(-c2nn[n-]n2)n1C ZINC000826235240 947689097 /nfs/dbraw/zinc/68/90/97/947689097.db2.gz FVQYTEZSUIBHTN-AWNIVKPZSA-N -1 3 379.380 1.148 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(Cl)cn2)cc(-c2nnn[n-]2)n1C ZINC000826235246 947690755 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20 50 GDGDHM CN1CC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000826022387 607569039 /nfs/dbraw/zinc/56/90/39/607569039.db2.gz LKCGZLQPFYXFSC-HNNXBMFYSA-N -1 3 377.408 1.251 20 50 GDGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000826248922 607650204 /nfs/dbraw/zinc/65/02/04/607650204.db2.gz CHCPFODOXHMOLD-NSHDSACASA-N -1 3 384.371 1.543 20 50 GDGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000826248922 607650205 /nfs/dbraw/zinc/65/02/05/607650205.db2.gz CHCPFODOXHMOLD-NSHDSACASA-N -1 3 384.371 1.543 20 50 GDGDHM CCSc1ccc(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825674040 607713220 /nfs/dbraw/zinc/71/32/20/607713220.db2.gz GNCJDXSSZDLXLY-UHFFFAOYSA-N -1 3 382.449 1.982 20 50 GDGDHM CCSc1ccc(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825674040 607713223 /nfs/dbraw/zinc/71/32/23/607713223.db2.gz GNCJDXSSZDLXLY-UHFFFAOYSA-N -1 3 382.449 1.982 20 50 GDGDHM O=C(CN1C(=O)CSc2ccccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409554 607716043 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CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825074021 607344113 /nfs/dbraw/zinc/34/41/13/607344113.db2.gz CPLBQFKSWAQRLG-DOMZBBRYSA-N -1 3 386.460 1.530 20 50 GDGDHM O=C(CCCNC(=O)NC1CCCCC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406409 607344796 /nfs/dbraw/zinc/34/47/96/607344796.db2.gz VXBWPLMEADWPGE-UHFFFAOYSA-N -1 3 386.460 1.722 20 50 GDGDHM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824080143 607345110 /nfs/dbraw/zinc/34/51/10/607345110.db2.gz VFORWCWQLCXDLA-ZDUSSCGKSA-N -1 3 389.485 1.648 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc(-c2nnn[n-]2)n1C ZINC000826235311 607432027 /nfs/dbraw/zinc/43/20/27/607432027.db2.gz HHHAEUTVPGGBFJ-ZFPIZBNDSA-N -1 3 395.467 1.696 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc(-c2nn[n-]n2)n1C ZINC000826235311 607432028 /nfs/dbraw/zinc/43/20/28/607432028.db2.gz HHHAEUTVPGGBFJ-ZFPIZBNDSA-N -1 3 395.467 1.696 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(OCC(F)(F)F)n1 ZINC000826448625 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GDGDHM CC(C)C[C@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820055282 945338921 /nfs/dbraw/zinc/33/89/21/945338921.db2.gz HLIVYSIMCGPOTI-LBPRGKRZSA-N -1 3 388.428 1.243 20 50 GDGDHM CC(C)C[C@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820055282 945338939 /nfs/dbraw/zinc/33/89/39/945338939.db2.gz HLIVYSIMCGPOTI-LBPRGKRZSA-N -1 3 388.428 1.243 20 50 GDGDHM C=CCNC(=S)NNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735433141 944651188 /nfs/dbraw/zinc/65/11/88/944651188.db2.gz ZYKIFOWSIRJSBB-UHFFFAOYSA-N -1 3 375.458 1.097 20 50 GDGDHM C=CCNC(=S)NNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735433141 944651192 /nfs/dbraw/zinc/65/11/92/944651192.db2.gz ZYKIFOWSIRJSBB-UHFFFAOYSA-N -1 3 375.458 1.097 20 50 GDGDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)Cc1cccnc1 ZINC000735736343 944693896 /nfs/dbraw/zinc/69/38/96/944693896.db2.gz SGPUVIGPPVBQRI-QGZVFWFLSA-N -1 3 395.423 1.055 20 50 GDGDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=O)Cc1cccnc1 ZINC000735736343 944693904 /nfs/dbraw/zinc/69/39/04/944693904.db2.gz SGPUVIGPPVBQRI-QGZVFWFLSA-N -1 3 395.423 1.055 20 50 GDGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1cnnc2ccccc21 ZINC000736170859 944753879 /nfs/dbraw/zinc/75/38/79/944753879.db2.gz YMCWHWWCOIHVJE-NSHDSACASA-N -1 3 376.380 1.721 20 50 GDGDHM CCOC(=O)CCCCOC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736592393 944850692 /nfs/dbraw/zinc/85/06/92/944850692.db2.gz POJCZZDNIAHKNS-NTEUORMPSA-N -1 3 386.412 1.697 20 50 GDGDHM CCOC(=O)CCCCOC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736592393 944850697 /nfs/dbraw/zinc/85/06/97/944850697.db2.gz POJCZZDNIAHKNS-NTEUORMPSA-N -1 3 386.412 1.697 20 50 GDGDHM CCc1nc([C@H](C)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000736699302 944871998 /nfs/dbraw/zinc/87/19/98/944871998.db2.gz MYBBPPHHRJYNFK-VIFPVBQESA-N -1 3 386.441 1.591 20 50 GDGDHM CCc1nc([C@H](C)NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000736699302 944871999 /nfs/dbraw/zinc/87/19/99/944871999.db2.gz MYBBPPHHRJYNFK-VIFPVBQESA-N -1 3 386.441 1.591 20 50 GDGDHM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736773394 944887662 /nfs/dbraw/zinc/88/76/62/944887662.db2.gz LSPRLRLRYDUWMS-IRXDYDNUSA-N -1 3 391.435 1.497 20 50 GDGDHM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736773394 944887666 /nfs/dbraw/zinc/88/76/66/944887666.db2.gz LSPRLRLRYDUWMS-IRXDYDNUSA-N -1 3 391.435 1.497 20 50 GDGDHM COC(=O)c1coc(COC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)c1 ZINC000736956666 944920396 /nfs/dbraw/zinc/92/03/96/944920396.db2.gz HNKQVPNHNHQCLK-UUILKARUSA-N -1 3 396.363 1.544 20 50 GDGDHM COC(=O)c1coc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)c1 ZINC000736956666 944920402 /nfs/dbraw/zinc/92/04/02/944920402.db2.gz HNKQVPNHNHQCLK-UUILKARUSA-N -1 3 396.363 1.544 20 50 GDGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNc1ccc(F)cc1F ZINC000737023886 944935068 /nfs/dbraw/zinc/93/50/68/944935068.db2.gz OMFWNHJXUUBKBZ-UHFFFAOYSA-N -1 3 376.323 1.676 20 50 GDGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNc1ccc(F)cc1F ZINC000737023886 944935079 /nfs/dbraw/zinc/93/50/79/944935079.db2.gz OMFWNHJXUUBKBZ-UHFFFAOYSA-N -1 3 376.323 1.676 20 50 GDGDHM COc1ccc(OCCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737109211 944960841 /nfs/dbraw/zinc/96/08/41/944960841.db2.gz GARCDQAEXCGSGH-UHFFFAOYSA-N -1 3 382.380 1.105 20 50 GDGDHM COc1ccc(OCCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737109211 944960847 /nfs/dbraw/zinc/96/08/47/944960847.db2.gz GARCDQAEXCGSGH-UHFFFAOYSA-N -1 3 382.380 1.105 20 50 GDGDHM COc1ccc(OC)c(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737109270 944962380 /nfs/dbraw/zinc/96/23/80/944962380.db2.gz INFUKZASYHSHQZ-UHFFFAOYSA-N -1 3 397.395 1.028 20 50 GDGDHM COc1ccc(OC)c(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737109270 944962384 /nfs/dbraw/zinc/96/23/84/944962384.db2.gz INFUKZASYHSHQZ-UHFFFAOYSA-N -1 3 397.395 1.028 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC(OC(C)C)CC2)cc(-c2nnn[n-]2)n1C ZINC000737212621 944995044 /nfs/dbraw/zinc/99/50/44/944995044.db2.gz LIUQBHHQKJYZLK-OQLLNIDSSA-N -1 3 383.456 1.837 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC(OC(C)C)CC2)cc(-c2nn[n-]n2)n1C ZINC000737212621 944995049 /nfs/dbraw/zinc/99/50/49/944995049.db2.gz LIUQBHHQKJYZLK-OQLLNIDSSA-N -1 3 383.456 1.837 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)OCCOC[C@H]2CCCO2)cc(-c2nnn[n-]2)n1C ZINC000737212837 944996628 /nfs/dbraw/zinc/99/66/28/944996628.db2.gz NAYRNEHTKDFWEV-CKNOQMABSA-N -1 3 386.412 1.159 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)OCCOC[C@H]2CCCO2)cc(-c2nn[n-]n2)n1C ZINC000737212837 944996638 /nfs/dbraw/zinc/99/66/38/944996638.db2.gz NAYRNEHTKDFWEV-CKNOQMABSA-N -1 3 386.412 1.159 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2nccn2CC(C)C)cc(-c2nnn[n-]2)n1C ZINC000737212999 944998260 /nfs/dbraw/zinc/99/82/60/944998260.db2.gz OUQIQVJAMXEMOH-VIZOYTHASA-N -1 3 393.455 1.590 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2nccn2CC(C)C)cc(-c2nn[n-]n2)n1C ZINC000737212999 944998267 /nfs/dbraw/zinc/99/82/67/944998267.db2.gz OUQIQVJAMXEMOH-VIZOYTHASA-N -1 3 393.455 1.590 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)OCCOCC(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000737213421 945000955 /nfs/dbraw/zinc/00/09/55/945000955.db2.gz SHMUGPQXLCDVDM-WZUFQYTHSA-N -1 3 384.318 1.543 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)OCCOCC(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000737213421 945000964 /nfs/dbraw/zinc/00/09/64/945000964.db2.gz SHMUGPQXLCDVDM-WZUFQYTHSA-N -1 3 384.318 1.543 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2nc3c(s2)COCC3)cc(-c2nnn[n-]2)n1C ZINC000737213357 945001562 /nfs/dbraw/zinc/00/15/62/945001562.db2.gz RQRUCXWMHLMAMS-WZUFQYTHSA-N -1 3 396.436 1.589 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2nc3c(s2)COCC3)cc(-c2nn[n-]n2)n1C ZINC000737213357 945001573 /nfs/dbraw/zinc/00/15/73/945001573.db2.gz RQRUCXWMHLMAMS-WZUFQYTHSA-N -1 3 396.436 1.589 20 50 GDGDHM Cc1ccc(N2CCCC2)c(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737349805 945046120 /nfs/dbraw/zinc/04/61/20/945046120.db2.gz AELPRALDLQLFAK-UHFFFAOYSA-N -1 3 391.435 1.850 20 50 GDGDHM Cc1ccc(N2CCCC2)c(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737349805 945046133 /nfs/dbraw/zinc/04/61/33/945046133.db2.gz AELPRALDLQLFAK-UHFFFAOYSA-N -1 3 391.435 1.850 20 50 GDGDHM C[C@@H](COCc1ccccc1)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820286961 945407086 /nfs/dbraw/zinc/40/70/86/945407086.db2.gz HGRKOIDEGHXIPD-ZDUSSCGKSA-N -1 3 395.423 1.416 20 50 GDGDHM C[C@@H](COCc1ccccc1)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820286961 945407093 /nfs/dbraw/zinc/40/70/93/945407093.db2.gz HGRKOIDEGHXIPD-ZDUSSCGKSA-N -1 3 395.423 1.416 20 50 GDGDHM C[C@H](NC(=O)NNc1ccc(-n2cccn2)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374965 945439009 /nfs/dbraw/zinc/43/90/09/945439009.db2.gz UQBIWZISMQWIOS-NSHDSACASA-N -1 3 391.399 1.230 20 50 GDGDHM C[C@H](NC(=O)NNc1ccc(-n2cccn2)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374965 945439015 /nfs/dbraw/zinc/43/90/15/945439015.db2.gz UQBIWZISMQWIOS-NSHDSACASA-N -1 3 391.399 1.230 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820375018 945439170 /nfs/dbraw/zinc/43/91/70/945439170.db2.gz WBMXOZDDUDSJFA-LLVKDONJSA-N -1 3 383.387 1.640 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820375018 945439178 /nfs/dbraw/zinc/43/91/78/945439178.db2.gz WBMXOZDDUDSJFA-LLVKDONJSA-N -1 3 383.387 1.640 20 50 GDGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000820582976 945490213 /nfs/dbraw/zinc/49/02/13/945490213.db2.gz AUWBPADIMCHEST-MJBXVCDLSA-N -1 3 385.428 1.014 20 50 GDGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000820582976 945490217 /nfs/dbraw/zinc/49/02/17/945490217.db2.gz AUWBPADIMCHEST-MJBXVCDLSA-N -1 3 385.428 1.014 20 50 GDGDHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820637766 945503435 /nfs/dbraw/zinc/50/34/35/945503435.db2.gz ZSNOQZXTMLSKRO-KXBFYZLASA-N -1 3 377.408 1.541 20 50 GDGDHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820637766 945503444 /nfs/dbraw/zinc/50/34/44/945503444.db2.gz ZSNOQZXTMLSKRO-KXBFYZLASA-N -1 3 377.408 1.541 20 50 GDGDHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820691539 945528647 /nfs/dbraw/zinc/52/86/47/945528647.db2.gz YIEVPEOLMDKKEG-ATCWAGBWSA-N -1 3 387.444 1.401 20 50 GDGDHM C[C@H]1CCN(c2cc(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)ccn2)C1 ZINC000820727747 945540613 /nfs/dbraw/zinc/54/06/13/945540613.db2.gz OMHGWHLALNHNFF-LBPRGKRZSA-N -1 3 392.423 1.183 20 50 GDGDHM C[C@H]1CCN(c2cc(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)ccn2)C1 ZINC000820727747 945540615 /nfs/dbraw/zinc/54/06/15/945540615.db2.gz OMHGWHLALNHNFF-LBPRGKRZSA-N -1 3 392.423 1.183 20 50 GDGDHM CC[C@H](C)C[C@@H](C)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820870155 945578993 /nfs/dbraw/zinc/57/89/93/945578993.db2.gz NYMREIHDJWZPFT-NWDGAFQWSA-N -1 3 375.433 1.401 20 50 GDGDHM CC[C@@H](C)C[C@@H](C)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820870157 945580100 /nfs/dbraw/zinc/58/01/00/945580100.db2.gz NYMREIHDJWZPFT-VXGBXAGGSA-N -1 3 375.433 1.401 20 50 GDGDHM CC[C@@H](CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C 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O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000826448562 607726971 /nfs/dbraw/zinc/72/69/71/607726971.db2.gz ABHMLDHKVWQMLD-UHFFFAOYSA-N -1 3 392.339 1.113 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000826448562 607726973 /nfs/dbraw/zinc/72/69/73/607726973.db2.gz ABHMLDHKVWQMLD-UHFFFAOYSA-N -1 3 392.339 1.113 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000826448021 607727272 /nfs/dbraw/zinc/72/72/72/607727272.db2.gz FHQUBQRFMOEQRP-GFCCVEGCSA-N -1 3 381.371 1.502 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000826448021 607727273 /nfs/dbraw/zinc/72/72/73/607727273.db2.gz FHQUBQRFMOEQRP-GFCCVEGCSA-N -1 3 381.371 1.502 20 50 GDGDHM Cc1cccnc1C(=O)[N-]NC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826308364 607763494 /nfs/dbraw/zinc/76/34/94/607763494.db2.gz WCEPLGWQOASAEC-OAHLLOKOSA-N -1 3 392.423 1.000 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CCc2c[nH]nc2C1 ZINC000823280939 606129272 /nfs/dbraw/zinc/12/92/72/606129272.db2.gz IVIZSAIVFFUJIR-QMMMGPOBSA-N -1 3 392.345 1.857 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)[C@@H](O)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000826236158 607823635 /nfs/dbraw/zinc/82/36/35/607823635.db2.gz ZZJIUCFRUGHROD-VFXTVZEFSA-N -1 3 385.472 1.580 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)[C@@H](O)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000826236158 607823636 /nfs/dbraw/zinc/82/36/36/607823636.db2.gz ZZJIUCFRUGHROD-VFXTVZEFSA-N -1 3 385.472 1.580 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1COc2ccccc21 ZINC000824500215 607854452 /nfs/dbraw/zinc/85/44/52/607854452.db2.gz VDHPCFDYHDRTBS-ABAIWWIYSA-N -1 3 393.407 1.375 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1COc2ccccc21 ZINC000824500215 607854453 /nfs/dbraw/zinc/85/44/53/607854453.db2.gz VDHPCFDYHDRTBS-ABAIWWIYSA-N -1 3 393.407 1.375 20 50 GDGDHM COc1cccc(OC)c1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826217275 607882061 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CCOC(=O)CC[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825506245 608078668 /nfs/dbraw/zinc/07/86/68/608078668.db2.gz ITUOSBIFJLDPDN-ZEVOCZHWSA-N -1 3 385.428 1.269 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc(-c2nnn[n-]2)n1C ZINC000826235363 608106901 /nfs/dbraw/zinc/10/69/01/608106901.db2.gz IJWQOIBPMBCBNS-DFPSLVGVSA-N -1 3 389.419 1.195 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc(-c2nn[n-]n2)n1C ZINC000826235363 608106902 /nfs/dbraw/zinc/10/69/02/608106902.db2.gz IJWQOIBPMBCBNS-DFPSLVGVSA-N -1 3 389.419 1.195 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2ccc(OCCO)cc2)cc(-c2nnn[n-]2)n1C ZINC000826235912 608106990 /nfs/dbraw/zinc/10/69/90/608106990.db2.gz UOGCQIFXVQTOED-ZROIWOOFSA-N -1 3 393.407 1.430 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2ccc(OCCO)cc2)cc(-c2nn[n-]n2)n1C ZINC000826235912 608106991 /nfs/dbraw/zinc/10/69/91/608106991.db2.gz UOGCQIFXVQTOED-ZROIWOOFSA-N -1 3 393.407 1.430 20 50 GDGDHM CCOC(=O)C(C)(C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825485121 608107602 /nfs/dbraw/zinc/10/76/02/608107602.db2.gz CQFCDECBYXGEAE-UHFFFAOYSA-N -1 3 386.334 1.918 20 50 GDGDHM CCOC(=O)C(C)(C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825485121 608107603 /nfs/dbraw/zinc/10/76/03/608107603.db2.gz CQFCDECBYXGEAE-UHFFFAOYSA-N -1 3 386.334 1.918 20 50 GDGDHM CCC[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825224870 608117441 /nfs/dbraw/zinc/11/74/41/608117441.db2.gz FDGPOVKETCJQGQ-CQSZACIVSA-N -1 3 388.428 1.243 20 50 GDGDHM CCC[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825224870 608117442 /nfs/dbraw/zinc/11/74/42/608117442.db2.gz FDGPOVKETCJQGQ-CQSZACIVSA-N -1 3 388.428 1.243 20 50 GDGDHM CCc1cc(NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nc(-c2ccccn2)n1 ZINC000825700691 608155094 /nfs/dbraw/zinc/15/50/94/608155094.db2.gz POHJFJIDRNBWEZ-UHFFFAOYSA-N -1 3 376.384 1.366 20 50 GDGDHM CCc1cc(NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nc(-c2ccccn2)n1 ZINC000825700691 608155096 /nfs/dbraw/zinc/15/50/96/608155096.db2.gz POHJFJIDRNBWEZ-UHFFFAOYSA-N -1 3 376.384 1.366 20 50 GDGDHM Cc1nc(CCOC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)cs1 ZINC000826325729 608457320 /nfs/dbraw/zinc/45/73/20/608457320.db2.gz JOQZXKHOPPSGOF-MLPAPPSSSA-N -1 3 383.437 1.971 20 50 GDGDHM Cc1nc(CCOC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cs1 ZINC000826325729 608457322 /nfs/dbraw/zinc/45/73/22/608457322.db2.gz JOQZXKHOPPSGOF-MLPAPPSSSA-N -1 3 383.437 1.971 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000826448004 608810585 /nfs/dbraw/zinc/81/05/85/608810585.db2.gz DQPONJSYHRXUGQ-UHFFFAOYSA-N -1 3 398.402 1.991 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000826448004 608810589 /nfs/dbraw/zinc/81/05/89/608810589.db2.gz DQPONJSYHRXUGQ-UHFFFAOYSA-N -1 3 398.402 1.991 20 50 GDGDHM CS(=O)(=O)Nc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826224306 608814199 /nfs/dbraw/zinc/81/41/99/608814199.db2.gz ZCLKIOCHJWVEDA-UHFFFAOYSA-N -1 3 388.413 1.387 20 50 GDGDHM CS(=O)(=O)Nc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826224306 608814200 /nfs/dbraw/zinc/81/42/00/608814200.db2.gz ZCLKIOCHJWVEDA-UHFFFAOYSA-N -1 3 388.413 1.387 20 50 GDGDHM O=C(NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc2ccccc21 ZINC000826444701 609237149 /nfs/dbraw/zinc/23/71/49/609237149.db2.gz QPSCCANEAXWOKV-QGZVFWFLSA-N -1 3 388.387 1.515 20 50 GDGDHM O=C(NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc21 ZINC000826444701 609237150 /nfs/dbraw/zinc/23/71/50/609237150.db2.gz QPSCCANEAXWOKV-QGZVFWFLSA-N -1 3 388.387 1.515 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cnc3c(c2)COCC3)cc(-c2nnn[n-]2)n1C ZINC000826235513 609266199 /nfs/dbraw/zinc/26/61/99/609266199.db2.gz LGHUCHYPBMJTHG-ACAGNQJTSA-N -1 3 390.407 1.527 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cnc3c(c2)COCC3)cc(-c2nn[n-]n2)n1C ZINC000826235513 609266200 /nfs/dbraw/zinc/26/62/00/609266200.db2.gz LGHUCHYPBMJTHG-ACAGNQJTSA-N -1 3 390.407 1.527 20 50 GDGDHM Cc1ncsc1C(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826331329 609306000 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394.439 1.911 20 50 GDGDHM Cc1cccnc1[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737437214 945066589 /nfs/dbraw/zinc/06/65/89/945066589.db2.gz YHXMXKSXCNKBIW-HNNXBMFYSA-N -1 3 394.439 1.911 20 50 GDGDHM Cc1noc(C)c1C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737535601 945091761 /nfs/dbraw/zinc/09/17/61/945091761.db2.gz BRLXZOGZVQSAPS-VNCYPQDWSA-N -1 3 394.439 1.773 20 50 GDGDHM Cc1noc(C)c1C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737535601 945091769 /nfs/dbraw/zinc/09/17/69/945091769.db2.gz BRLXZOGZVQSAPS-VNCYPQDWSA-N -1 3 394.439 1.773 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NC/C=C/c1ccccc1 ZINC000737918832 945152013 /nfs/dbraw/zinc/15/20/13/945152013.db2.gz NBOFBTISJCISJY-QPJJXVBHSA-N -1 3 393.407 1.289 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=Cc1nccn1CC(F)(F)F ZINC000737919535 945153598 /nfs/dbraw/zinc/15/35/98/945153598.db2.gz UXZUMJPOVXBQMT-UHFFFAOYSA-N -1 3 394.317 1.155 20 50 GDGDHM O=C(Cc1ccccc1F)NNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737973655 945168746 /nfs/dbraw/zinc/16/87/46/945168746.db2.gz FOIKSEJFYGQFKG-UHFFFAOYSA-N -1 3 387.350 1.218 20 50 GDGDHM O=C(Cc1ccccc1F)NNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737973655 945168748 /nfs/dbraw/zinc/16/87/48/945168748.db2.gz FOIKSEJFYGQFKG-UHFFFAOYSA-N -1 3 387.350 1.218 20 50 GDGDHM O=C(NCc1cccc(-n2cncn2)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000738115535 945192783 /nfs/dbraw/zinc/19/27/83/945192783.db2.gz DKSABWSRQHHAGO-UHFFFAOYSA-N -1 3 376.384 1.274 20 50 GDGDHM O=C(NCc1cccc(-n2cncn2)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000738115535 945192787 /nfs/dbraw/zinc/19/27/87/945192787.db2.gz DKSABWSRQHHAGO-UHFFFAOYSA-N -1 3 376.384 1.274 20 50 GDGDHM O=C(NNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738130547 945211276 /nfs/dbraw/zinc/21/12/76/945211276.db2.gz RPGZQPMCUYSPAT-STQMWFEESA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738130547 945211282 /nfs/dbraw/zinc/21/12/82/945211282.db2.gz RPGZQPMCUYSPAT-STQMWFEESA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738130855 945213591 /nfs/dbraw/zinc/21/35/91/945213591.db2.gz XRWWFYJWCCITIA-TZMCWYRMSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738130855 945213595 /nfs/dbraw/zinc/21/35/95/945213595.db2.gz XRWWFYJWCCITIA-TZMCWYRMSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)c1ccccc1N1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134319 945218837 /nfs/dbraw/zinc/21/88/37/945218837.db2.gz KPQZGUQBPJVMJU-UHFFFAOYSA-N -1 3 391.435 1.932 20 50 GDGDHM O=C(NNC(=O)c1ccccc1N1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134319 945218849 /nfs/dbraw/zinc/21/88/49/945218849.db2.gz KPQZGUQBPJVMJU-UHFFFAOYSA-N -1 3 391.435 1.932 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CCc2ccc(F)cc21 ZINC000738136043 945228698 /nfs/dbraw/zinc/22/86/98/945228698.db2.gz DNMHNBLZSWBYCH-HNNXBMFYSA-N -1 3 381.371 1.637 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CCc2ccc(F)cc21 ZINC000738136043 945228705 /nfs/dbraw/zinc/22/87/05/945228705.db2.gz DNMHNBLZSWBYCH-HNNXBMFYSA-N -1 3 381.371 1.637 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000738137219 945242673 /nfs/dbraw/zinc/24/26/73/945242673.db2.gz SDFHCAGYUSQFCT-OAHLLOKOSA-N -1 3 392.423 1.090 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000738137219 945242675 /nfs/dbraw/zinc/24/26/75/945242675.db2.gz SDFHCAGYUSQFCT-OAHLLOKOSA-N -1 3 392.423 1.090 20 50 GDGDHM O=C(NNC(=O)N1CC[C@H](c2ccccc2F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738137755 945248202 /nfs/dbraw/zinc/24/82/02/945248202.db2.gz ZXNJWRRAHYUKTP-AWEZNQCLSA-N -1 3 395.398 1.850 20 50 GDGDHM O=C(NNC(=O)N1CC[C@H](c2ccccc2F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738137755 945248207 /nfs/dbraw/zinc/24/82/07/945248207.db2.gz ZXNJWRRAHYUKTP-AWEZNQCLSA-N -1 3 395.398 1.850 20 50 GDGDHM O=C(NN=C1C(=O)Nc2c1c(Cl)ccc2F)c1cccc(-c2nn[n-]n2)c1 ZINC000738317659 945259107 /nfs/dbraw/zinc/25/91/07/945259107.db2.gz FIGCBJUVBKVIJJ-UHFFFAOYSA-N -1 3 385.746 1.745 20 50 GDGDHM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820044361 945337705 /nfs/dbraw/zinc/33/77/05/945337705.db2.gz GEKYCGFDFSHCLK-HUUCEWRRSA-N -1 3 387.444 1.262 20 50 GDGDHM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820044361 945337712 /nfs/dbraw/zinc/33/77/12/945337712.db2.gz GEKYCGFDFSHCLK-HUUCEWRRSA-N -1 3 387.444 1.262 20 50 GDGDHM C=CCNC(=S)NNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735432244 944649988 /nfs/dbraw/zinc/64/99/88/944649988.db2.gz ONQHGKPJLBWWFF-UHFFFAOYSA-N -1 3 396.436 1.349 20 50 GDGDHM C=CCNC(=S)NNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735432244 944649996 /nfs/dbraw/zinc/64/99/96/944649996.db2.gz ONQHGKPJLBWWFF-UHFFFAOYSA-N -1 3 396.436 1.349 20 50 GDGDHM CC(=O)c1cnc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)s1 ZINC000735502619 944668346 /nfs/dbraw/zinc/66/83/46/944668346.db2.gz AMZJJHHTQYRMRL-WCIBSUBMSA-N -1 3 382.409 1.718 20 50 GDGDHM CC(C)(C)CCCCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735603867 944678992 /nfs/dbraw/zinc/67/89/92/944678992.db2.gz PBVFPMYDMGCEMB-UHFFFAOYSA-N -1 3 389.460 1.792 20 50 GDGDHM CC(C)(C)CCCCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735603867 944679000 /nfs/dbraw/zinc/67/90/00/944679000.db2.gz PBVFPMYDMGCEMB-UHFFFAOYSA-N -1 3 389.460 1.792 20 50 GDGDHM CC(C)(C)OC(=O)N1CCC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735623283 944681425 /nfs/dbraw/zinc/68/14/25/944681425.db2.gz GSOFWLLERDGVHJ-UHFFFAOYSA-N -1 3 385.428 1.983 20 50 GDGDHM CC(C)(C)OC(=O)N1CCC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735623283 944681435 /nfs/dbraw/zinc/68/14/35/944681435.db2.gz GSOFWLLERDGVHJ-UHFFFAOYSA-N -1 3 385.428 1.983 20 50 GDGDHM CC(C)NC(=O)NNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735887873 944708541 /nfs/dbraw/zinc/70/85/41/944708541.db2.gz DZRDKRNAZYOKCS-UHFFFAOYSA-N -1 3 382.384 1.406 20 50 GDGDHM CC(C)NC(=O)NNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735887873 944708552 /nfs/dbraw/zinc/70/85/52/944708552.db2.gz DZRDKRNAZYOKCS-UHFFFAOYSA-N -1 3 382.384 1.406 20 50 GDGDHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000736236551 944771457 /nfs/dbraw/zinc/77/14/57/944771457.db2.gz KGYHBYJTEWHVHT-ABAIWWIYSA-N -1 3 380.408 1.977 20 50 GDGDHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000736236551 944771466 /nfs/dbraw/zinc/77/14/66/944771466.db2.gz KGYHBYJTEWHVHT-ABAIWWIYSA-N -1 3 380.408 1.977 20 50 GDGDHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736305744 944793476 /nfs/dbraw/zinc/79/34/76/944793476.db2.gz ZEOWKFQBDDOLDG-LLVKDONJSA-N -1 3 395.398 1.980 20 50 GDGDHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736305744 944793481 /nfs/dbraw/zinc/79/34/81/944793481.db2.gz ZEOWKFQBDDOLDG-LLVKDONJSA-N -1 3 395.398 1.980 20 50 GDGDHM CC[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000736363432 944809647 /nfs/dbraw/zinc/80/96/47/944809647.db2.gz ODRAYKIXXRYJQQ-INIZCTEOSA-N -1 3 395.423 1.971 20 50 GDGDHM CC[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000736363432 944809651 /nfs/dbraw/zinc/80/96/51/944809651.db2.gz ODRAYKIXXRYJQQ-INIZCTEOSA-N -1 3 395.423 1.971 20 50 GDGDHM CCCCSCCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736463386 944828470 /nfs/dbraw/zinc/82/84/70/944828470.db2.gz ORNKXLXPOGKGJE-UHFFFAOYSA-N -1 3 378.458 1.316 20 50 GDGDHM CCN(C)[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736510079 944838197 /nfs/dbraw/zinc/83/81/97/944838197.db2.gz QOCQXHALIVMYOD-MRXNPFEDSA-N -1 3 379.424 1.321 20 50 GDGDHM CCN(Cc1ccncc1)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736557202 944843663 /nfs/dbraw/zinc/84/36/63/944843663.db2.gz ZDKGWORQPUZEHD-CXUHLZMHSA-N -1 3 376.424 1.864 20 50 GDGDHM CCN(Cc1ccncc1)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736557202 944843669 /nfs/dbraw/zinc/84/36/69/944843669.db2.gz ZDKGWORQPUZEHD-CXUHLZMHSA-N -1 3 376.424 1.864 20 50 GDGDHM CCOC(=O)C(C#N)=CNc1sc(C(=O)OCC)c(C)c1-c1nnn[n-]1 ZINC000736586903 944848852 /nfs/dbraw/zinc/84/88/52/944848852.db2.gz QSAQYVYGAZSMCU-CLFYSBASSA-N -1 3 376.398 1.796 20 50 GDGDHM CCOC(=O)C(C#N)=CNc1sc(C(=O)OCC)c(C)c1-c1nn[n-]n1 ZINC000736586903 944848856 /nfs/dbraw/zinc/84/88/56/944848856.db2.gz QSAQYVYGAZSMCU-CLFYSBASSA-N -1 3 376.398 1.796 20 50 GDGDHM CCOC(=O)c1c(C)[nH]c(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000736603475 944854508 /nfs/dbraw/zinc/85/45/08/944854508.db2.gz PWOCJXWVWNBMAP-UHFFFAOYSA-N -1 3 381.396 1.752 20 50 GDGDHM CCOC(=O)c1c(C)[nH]c(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000736603475 944854512 /nfs/dbraw/zinc/85/45/12/944854512.db2.gz PWOCJXWVWNBMAP-UHFFFAOYSA-N -1 3 381.396 1.752 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894460 944905926 /nfs/dbraw/zinc/90/59/26/944905926.db2.gz CWAGQQCMWXFGQH-AWEZNQCLSA-N -1 3 386.799 1.669 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894460 944905930 /nfs/dbraw/zinc/90/59/30/944905930.db2.gz CWAGQQCMWXFGQH-AWEZNQCLSA-N -1 3 386.799 1.669 20 50 GDGDHM COCCCNC(=O)NN=C(C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736986972 944927752 /nfs/dbraw/zinc/92/77/52/944927752.db2.gz SCCDFUXUYHNFJW-UHFFFAOYSA-N -1 3 397.443 1.421 20 50 GDGDHM COc1ccc(CCCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737089771 944957070 /nfs/dbraw/zinc/95/70/70/944957070.db2.gz WYBGVDKIWFSCSY-UHFFFAOYSA-N -1 3 395.423 1.452 20 50 GDGDHM COc1ccc(CCCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737089771 944957074 /nfs/dbraw/zinc/95/70/74/944957074.db2.gz WYBGVDKIWFSCSY-UHFFFAOYSA-N -1 3 395.423 1.452 20 50 GDGDHM COc1ccc2cc(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)[nH]c2c1 ZINC000737118250 944962222 /nfs/dbraw/zinc/96/22/22/944962222.db2.gz CSPBRMLQLNBFLK-UHFFFAOYSA-N -1 3 377.364 1.431 20 50 GDGDHM COc1ccc2cc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)[nH]c2c1 ZINC000737118250 944962231 /nfs/dbraw/zinc/96/22/31/944962231.db2.gz CSPBRMLQLNBFLK-UHFFFAOYSA-N -1 3 377.364 1.431 20 50 GDGDHM C[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737194310 944980417 /nfs/dbraw/zinc/98/04/17/944980417.db2.gz HTLBXZPHILZJIS-LBPRGKRZSA-N -1 3 381.396 1.337 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCn2ccnc2C(C)C)cc(-c2nn[n-]n2)n1C ZINC000737211109 944985489 /nfs/dbraw/zinc/98/54/89/944985489.db2.gz AQAACIJEPLTMGN-OQLLNIDSSA-N -1 3 393.455 1.557 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCc3c2cccc3O)cc(-c2nn[n-]n2)n1C ZINC000737211536 944986571 /nfs/dbraw/zinc/98/65/71/944986571.db2.gz CKSCGKNRFLREJI-RQPMMQJISA-N -1 3 389.419 1.930 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2nccn2CC(C)C)cc(-c2nnn[n-]2)n1C ZINC000737212998 944997820 /nfs/dbraw/zinc/99/78/20/944997820.db2.gz OUQIQVJAMXEMOH-CHHVJCJISA-N -1 3 393.455 1.590 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2nccn2CC(C)C)cc(-c2nn[n-]n2)n1C ZINC000737212998 944997833 /nfs/dbraw/zinc/99/78/33/944997833.db2.gz OUQIQVJAMXEMOH-CHHVJCJISA-N -1 3 393.455 1.590 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCCc2nccs2)cc(-c2nnn[n-]2)n1C ZINC000737213652 945005693 /nfs/dbraw/zinc/00/56/93/945005693.db2.gz VJPCJAWNAJPNKR-MDWZMJQESA-N -1 3 382.453 1.626 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCCc2nccs2)cc(-c2nn[n-]n2)n1C ZINC000737213652 945005702 /nfs/dbraw/zinc/00/57/02/945005702.db2.gz VJPCJAWNAJPNKR-MDWZMJQESA-N -1 3 382.453 1.626 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(-c2nnn[n-]2)n1C ZINC000737245525 945020359 /nfs/dbraw/zinc/02/03/59/945020359.db2.gz DZQWJPVGSWUQHP-MKMNVTDBSA-N -1 3 392.423 1.454 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(-c2nn[n-]n2)n1C ZINC000737245525 945020369 /nfs/dbraw/zinc/02/03/69/945020369.db2.gz DZQWJPVGSWUQHP-MKMNVTDBSA-N -1 3 392.423 1.454 20 50 GDGDHM Cc1cc(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n(C(C)(C)C)n1 ZINC000737276113 945028369 /nfs/dbraw/zinc/02/83/69/945028369.db2.gz YXYICVOJDGXGEA-UHFFFAOYSA-N -1 3 383.416 1.593 20 50 GDGDHM Cc1cc(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n(C(C)(C)C)n1 ZINC000737276113 945028380 /nfs/dbraw/zinc/02/83/80/945028380.db2.gz YXYICVOJDGXGEA-UHFFFAOYSA-N -1 3 383.416 1.593 20 50 GDGDHM Cc1ccc(C(=O)NNC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737311721 945034975 /nfs/dbraw/zinc/03/49/75/945034975.db2.gz CHZWZCPOESXBEQ-UHFFFAOYSA-N -1 3 386.412 1.868 20 50 GDGDHM Cc1ccc(C(=O)NNC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737311721 945034986 /nfs/dbraw/zinc/03/49/86/945034986.db2.gz CHZWZCPOESXBEQ-UHFFFAOYSA-N -1 3 386.412 1.868 20 50 GDGDHM Cc1ccc([C@H]2CCCN2C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737332632 945042673 /nfs/dbraw/zinc/04/26/73/945042673.db2.gz QKCPUNAUSHFWHW-CQSZACIVSA-N -1 3 381.396 1.960 20 50 GDGDHM Cc1ccc([C@H]2CCCN2C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737332632 945042684 /nfs/dbraw/zinc/04/26/84/945042684.db2.gz QKCPUNAUSHFWHW-CQSZACIVSA-N -1 3 381.396 1.960 20 50 GDGDHM Cc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737409541 945059956 /nfs/dbraw/zinc/05/99/56/945059956.db2.gz PFPICQXIUNGVBI-INIZCTEOSA-N -1 3 377.408 1.807 20 50 GDGDHM Cc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737409541 945059967 /nfs/dbraw/zinc/05/99/67/945059967.db2.gz PFPICQXIUNGVBI-INIZCTEOSA-N -1 3 377.408 1.807 20 50 GDGDHM C[C@@H](CCc1cccn1C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820252820 945399433 /nfs/dbraw/zinc/39/94/33/945399433.db2.gz DZBBPKJMBAZJTE-LBPRGKRZSA-N -1 3 382.428 1.171 20 50 GDGDHM C[C@@H](CCc1cccn1C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820252820 945399439 /nfs/dbraw/zinc/39/94/39/945399439.db2.gz DZBBPKJMBAZJTE-LBPRGKRZSA-N -1 3 382.428 1.171 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)COCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373900 945436711 /nfs/dbraw/zinc/43/67/11/945436711.db2.gz LBCFDEHNLGJNND-CYBMUJFWSA-N -1 3 395.423 1.475 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)COCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373900 945436719 /nfs/dbraw/zinc/43/67/19/945436719.db2.gz LBCFDEHNLGJNND-CYBMUJFWSA-N -1 3 395.423 1.475 20 50 GDGDHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820637764 945504876 /nfs/dbraw/zinc/50/48/76/945504876.db2.gz ZSNOQZXTMLSKRO-HNAYVOBHSA-N -1 3 377.408 1.541 20 50 GDGDHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820637764 945504881 /nfs/dbraw/zinc/50/48/81/945504881.db2.gz ZSNOQZXTMLSKRO-HNAYVOBHSA-N -1 3 377.408 1.541 20 50 GDGDHM C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000820752533 945550757 /nfs/dbraw/zinc/55/07/57/945550757.db2.gz OBNJLUKVHADIQN-SCLBCKFNSA-N -1 3 391.435 1.321 20 50 GDGDHM C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000820752533 945550763 /nfs/dbraw/zinc/55/07/63/945550763.db2.gz OBNJLUKVHADIQN-SCLBCKFNSA-N -1 3 391.435 1.321 20 50 GDGDHM CC[C@@H](C)C[C@H](C)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820870154 945580265 /nfs/dbraw/zinc/58/02/65/945580265.db2.gz NYMREIHDJWZPFT-NEPJUHHUSA-N -1 3 375.433 1.401 20 50 GDGDHM CCOc1cc(C)ccc1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821394049 945689150 /nfs/dbraw/zinc/68/91/50/945689150.db2.gz FKAYPIHURHUPIV-UHFFFAOYSA-N -1 3 395.423 1.718 20 50 GDGDHM CCOc1cc(C)ccc1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821394049 945689156 /nfs/dbraw/zinc/68/91/56/945689156.db2.gz FKAYPIHURHUPIV-UHFFFAOYSA-N -1 3 395.423 1.718 20 50 GDGDHM CCc1ccc(C(=O)NNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821476126 945704945 /nfs/dbraw/zinc/70/49/45/945704945.db2.gz IUVPXYQANGJVQJ-UHFFFAOYSA-N -1 3 395.423 1.452 20 50 GDGDHM CCc1cnc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)s1 ZINC000821499953 945710570 /nfs/dbraw/zinc/71/05/70/945710570.db2.gz XYIIAJTYEKVNTC-LFYBBSHMSA-N -1 3 382.453 1.756 20 50 GDGDHM CCc1cnc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)s1 ZINC000821499953 945710576 /nfs/dbraw/zinc/71/05/76/945710576.db2.gz XYIIAJTYEKVNTC-LFYBBSHMSA-N -1 3 382.453 1.756 20 50 GDGDHM COc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000821798782 945868518 /nfs/dbraw/zinc/86/85/18/945868518.db2.gz NJAXLMPVONFCBV-UHFFFAOYSA-N -1 3 385.359 1.159 20 50 GDGDHM COc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000821798782 945868527 /nfs/dbraw/zinc/86/85/27/945868527.db2.gz NJAXLMPVONFCBV-UHFFFAOYSA-N -1 3 385.359 1.159 20 50 GDGDHM COc1ccc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cn1 ZINC000821823850 945874109 /nfs/dbraw/zinc/87/41/09/945874109.db2.gz DWOGLJWSEDWJBK-NSIKDUERSA-N -1 3 379.380 1.568 20 50 GDGDHM COc1ccccc1SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821903096 945900707 /nfs/dbraw/zinc/90/07/07/945900707.db2.gz AWGKXPQVWUNGAL-UHFFFAOYSA-N -1 3 384.421 1.429 20 50 GDGDHM COc1ccccc1SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821903096 945900713 /nfs/dbraw/zinc/90/07/13/945900713.db2.gz AWGKXPQVWUNGAL-UHFFFAOYSA-N -1 3 384.421 1.429 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC(OCC3CC3)CC2)cc(-c2nnn[n-]2)n1C ZINC000822027182 945931837 /nfs/dbraw/zinc/93/18/37/945931837.db2.gz FFZFMLWHMKSILO-CXUHLZMHSA-N -1 3 395.467 1.838 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC(OCC3CC3)CC2)cc(-c2nn[n-]n2)n1C ZINC000822027182 945931844 /nfs/dbraw/zinc/93/18/44/945931844.db2.gz FFZFMLWHMKSILO-CXUHLZMHSA-N -1 3 395.467 1.838 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2cccc(F)c2)cc(-c2nnn[n-]2)n1C ZINC000822029065 945952499 /nfs/dbraw/zinc/95/24/99/945952499.db2.gz UZTJGZMICSEUTK-JJKQHFEOSA-N -1 3 395.398 1.410 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2cccc(F)c2)cc(-c2nn[n-]n2)n1C ZINC000822029065 945952508 /nfs/dbraw/zinc/95/25/08/945952508.db2.gz UZTJGZMICSEUTK-JJKQHFEOSA-N -1 3 395.398 1.410 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc(-c2nnn[n-]2)n1C ZINC000822029454 945957075 /nfs/dbraw/zinc/95/70/75/945957075.db2.gz YZMKXSCXHUKHSJ-GSFWWXFPSA-N -1 3 395.467 1.574 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc(-c2nn[n-]n2)n1C ZINC000822029454 945957085 /nfs/dbraw/zinc/95/70/85/945957085.db2.gz YZMKXSCXHUKHSJ-GSFWWXFPSA-N -1 3 395.467 1.574 20 50 GDGDHM Cc1cc(=O)c(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c[nH]1 ZINC000822161013 945965570 /nfs/dbraw/zinc/96/55/70/945965570.db2.gz MZZDILQPRPQPKB-UHFFFAOYSA-N -1 3 379.302 1.639 20 50 GDGDHM Cc1cc(=O)c(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c[nH]1 ZINC000822161013 945965576 /nfs/dbraw/zinc/96/55/76/945965576.db2.gz MZZDILQPRPQPKB-UHFFFAOYSA-N -1 3 379.302 1.639 20 50 GDGDHM Cc1cc(OCC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)no1 ZINC000822210604 945992547 /nfs/dbraw/zinc/99/25/47/945992547.db2.gz KJDDNKUURPZPIG-UHFFFAOYSA-N -1 3 383.290 1.704 20 50 GDGDHM Cc1cc(OCC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)no1 ZINC000822210604 945992556 /nfs/dbraw/zinc/99/25/56/945992556.db2.gz KJDDNKUURPZPIG-UHFFFAOYSA-N -1 3 383.290 1.704 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2cccc(C)c2)cc(-c2nnn[n-]2)n1C ZINC000822288969 946045559 /nfs/dbraw/zinc/04/55/59/946045559.db2.gz OHHHUHWRWMCANJ-WHMKARLCSA-N -1 3 391.435 1.579 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2cccc(C)c2)cc(-c2nn[n-]n2)n1C ZINC000822288969 946045571 /nfs/dbraw/zinc/04/55/71/946045571.db2.gz OHHHUHWRWMCANJ-WHMKARLCSA-N -1 3 391.435 1.579 20 50 GDGDHM Cc1ccccc1O[C@H](C)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822362380 946071712 /nfs/dbraw/zinc/07/17/12/946071712.db2.gz QVBVRBGZNDCQLO-CYBMUJFWSA-N -1 3 395.423 1.587 20 50 GDGDHM Cc1ccccc1O[C@H](C)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822362380 946071725 /nfs/dbraw/zinc/07/17/25/946071725.db2.gz QVBVRBGZNDCQLO-CYBMUJFWSA-N -1 3 395.423 1.587 20 50 GDGDHM Cc1nn(C)cc1[C@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822496338 946105081 /nfs/dbraw/zinc/10/50/81/946105081.db2.gz JRZRTQRSUWTDDQ-OAHLLOKOSA-N -1 3 395.427 1.100 20 50 GDGDHM Cc1nn(C)cc1[C@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822496338 946105085 /nfs/dbraw/zinc/10/50/85/946105085.db2.gz JRZRTQRSUWTDDQ-OAHLLOKOSA-N -1 3 395.427 1.100 20 50 GDGDHM Nc1cc(C(=O)NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)cc([N+](=O)[O-])c1 ZINC000822907534 946216046 /nfs/dbraw/zinc/21/60/46/946216046.db2.gz RKFYTHGHLPMYGP-UHFFFAOYSA-N -1 3 392.379 1.828 20 50 GDGDHM Nc1cc(C(=O)NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)cc([N+](=O)[O-])c1 ZINC000822907534 946216058 /nfs/dbraw/zinc/21/60/58/946216058.db2.gz RKFYTHGHLPMYGP-UHFFFAOYSA-N -1 3 392.379 1.828 20 50 GDGDHM O=C(CCCNC(=O)C1CC1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822958819 946232497 /nfs/dbraw/zinc/23/24/97/946232497.db2.gz INCDGZKHKZLVJZ-UHFFFAOYSA-N -1 3 397.361 1.635 20 50 GDGDHM O=C(CCCNC(=O)C1CC1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822958819 946232507 /nfs/dbraw/zinc/23/25/07/946232507.db2.gz INCDGZKHKZLVJZ-UHFFFAOYSA-N -1 3 397.361 1.635 20 50 GDGDHM O=C(CCCc1ccc(F)c(F)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822958721 946234013 /nfs/dbraw/zinc/23/40/13/946234013.db2.gz DJOLGOWVWTVCRF-UHFFFAOYSA-N -1 3 386.362 1.929 20 50 GDGDHM O=C(CCCc1ccc(F)c(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822958721 946234021 /nfs/dbraw/zinc/23/40/21/946234021.db2.gz DJOLGOWVWTVCRF-UHFFFAOYSA-N -1 3 386.362 1.929 20 50 GDGDHM O=C(CN1CCCc2c(F)cccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822997902 946260809 /nfs/dbraw/zinc/26/08/09/946260809.db2.gz XLFUYRYEFAZGPL-UHFFFAOYSA-N -1 3 395.398 1.220 20 50 GDGDHM O=C(CN1CCCc2c(F)cccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822997902 946260818 /nfs/dbraw/zinc/26/08/18/946260818.db2.gz XLFUYRYEFAZGPL-UHFFFAOYSA-N -1 3 395.398 1.220 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1ccnn1C1CCCC1 ZINC000823037352 946289886 /nfs/dbraw/zinc/28/98/86/946289886.db2.gz WAPQWUUVBQPCDI-UHFFFAOYSA-N -1 3 396.411 1.018 20 50 GDGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@@H]1CC2CCC1CC2 ZINC000823050447 946296612 /nfs/dbraw/zinc/29/66/12/946296612.db2.gz ZWRXNJCOSAYAFY-ORHYLEIMSA-N -1 3 385.428 1.155 20 50 GDGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@@H]1CC2CCC1CC2 ZINC000823050447 946296622 /nfs/dbraw/zinc/29/66/22/946296622.db2.gz ZWRXNJCOSAYAFY-ORHYLEIMSA-N -1 3 385.428 1.155 20 50 GDGDHM O=C(Cc1cc(-c2ccccc2)on1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823074036 946303276 /nfs/dbraw/zinc/30/32/76/946303276.db2.gz JIXQBMUUTZUWEU-UHFFFAOYSA-N -1 3 389.375 1.525 20 50 GDGDHM O=C(Cc1cc(-c2ccccc2)on1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823074036 946303289 /nfs/dbraw/zinc/30/32/89/946303289.db2.gz JIXQBMUUTZUWEU-UHFFFAOYSA-N -1 3 389.375 1.525 20 50 GDGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)NCc1ccc(Cl)cc1 ZINC000823103904 946309458 /nfs/dbraw/zinc/30/94/58/946309458.db2.gz ODUPPQPNAGGSGL-UHFFFAOYSA-N -1 3 385.815 1.593 20 50 GDGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)NCc1ccc(Cl)cc1 ZINC000823103904 946309468 /nfs/dbraw/zinc/30/94/68/946309468.db2.gz ODUPPQPNAGGSGL-UHFFFAOYSA-N -1 3 385.815 1.593 20 50 GDGDHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NNc1cccc(F)c1F ZINC000823206170 946344668 /nfs/dbraw/zinc/34/46/68/946344668.db2.gz MKICSWPMBATGGT-UHFFFAOYSA-N -1 3 375.343 1.278 20 50 GDGDHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NNc1cccc(F)c1F ZINC000823206170 946344679 /nfs/dbraw/zinc/34/46/79/946344679.db2.gz MKICSWPMBATGGT-UHFFFAOYSA-N -1 3 375.343 1.278 20 50 GDGDHM CC(C)c1ccccc1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001574420430 948796538 /nfs/dbraw/zinc/79/65/38/948796538.db2.gz UTFRBDMDWAQYMU-UHFFFAOYSA-N -1 3 380.408 1.830 20 50 GDGDHM CC(C)(C(=O)NCCSS(C)(=O)=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573782762 949135015 /nfs/dbraw/zinc/13/50/15/949135015.db2.gz XYJOATMVFMCKSI-UHFFFAOYSA-N -1 3 387.462 1.092 20 50 GDGDHM CC(C)(C(=O)NCCSS(C)(=O)=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573782762 949135032 /nfs/dbraw/zinc/13/50/32/949135032.db2.gz XYJOATMVFMCKSI-UHFFFAOYSA-N -1 3 387.462 1.092 20 50 GDGDHM CC(C)(C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC001573783166 949141117 /nfs/dbraw/zinc/14/11/17/949141117.db2.gz VFWZCNJVMMPIOU-UHFFFAOYSA-N -1 3 386.362 1.884 20 50 GDGDHM CC(C)(C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC001573783166 949141134 /nfs/dbraw/zinc/14/11/34/949141134.db2.gz VFWZCNJVMMPIOU-UHFFFAOYSA-N -1 3 386.362 1.884 20 50 GDGDHM CC(C)(C)NC(=S)NNC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001573851489 950299365 /nfs/dbraw/zinc/29/93/65/950299365.db2.gz ZKAXRXJWBKVVLG-UHFFFAOYSA-N -1 3 398.290 1.537 20 50 GDGDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC001573856817 950399482 /nfs/dbraw/zinc/39/94/82/950399482.db2.gz KDDLPSWYOXOKIB-RRFJBIMHSA-N -1 3 399.455 1.813 20 50 GDGDHM CC(C)(C)OC(=O)NNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001573861347 950448271 /nfs/dbraw/zinc/44/82/71/950448271.db2.gz ZOPYFIXCLCFFPJ-UHFFFAOYSA-N -1 3 389.416 1.531 20 50 GDGDHM CC(C)(C)OC(=O)NNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001573861347 950448275 /nfs/dbraw/zinc/44/82/75/950448275.db2.gz ZOPYFIXCLCFFPJ-UHFFFAOYSA-N -1 3 389.416 1.531 20 50 GDGDHM COc1ccc(Cl)cc1C(=O)NNC(=O)CN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001599580347 998518204 /nfs/dbraw/zinc/51/82/04/998518204.db2.gz WLIBOWLTGPGQCB-IETSOEAISA-N -1 3 395.843 1.295 20 50 GDGDHM O=C(NNC(=S)N[C@@H]1CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277533 599228017 /nfs/dbraw/zinc/22/80/17/599228017.db2.gz OZWNUPYXUBNLBW-MRXNPFEDSA-N -1 3 393.476 1.533 20 50 GDGDHM O=C(NNC(=S)N[C@@H]1CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277533 599228019 /nfs/dbraw/zinc/22/80/19/599228019.db2.gz OZWNUPYXUBNLBW-MRXNPFEDSA-N -1 3 393.476 1.533 20 50 GDGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=S)NCCc1cccs1 ZINC000826249610 607337901 /nfs/dbraw/zinc/33/79/01/607337901.db2.gz LALWRWLXTMLYEI-UHFFFAOYSA-N -1 3 387.494 1.588 20 50 GDGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=S)NCCc1cccs1 ZINC000826249610 607337903 /nfs/dbraw/zinc/33/79/03/607337903.db2.gz LALWRWLXTMLYEI-UHFFFAOYSA-N -1 3 387.494 1.588 20 50 GDGDHM O=C(CCC(=O)N1CCc2sccc2C1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404843 607338192 /nfs/dbraw/zinc/33/81/92/607338192.db2.gz MYKOXTCMTWWJHP-UHFFFAOYSA-N -1 3 397.464 1.736 20 50 GDGDHM O=C(CCC(=O)N1CCc2sccc2C1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404843 607338194 /nfs/dbraw/zinc/33/81/94/607338194.db2.gz MYKOXTCMTWWJHP-UHFFFAOYSA-N -1 3 397.464 1.736 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000826446272 607340892 /nfs/dbraw/zinc/34/08/92/607340892.db2.gz GCXDTXFFHJJNIT-LLVKDONJSA-N -1 3 399.361 1.641 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000826446871 607341228 /nfs/dbraw/zinc/34/12/28/607341228.db2.gz CASZPBBGDCRNHY-UHFFFAOYSA-N -1 3 392.354 1.309 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000826446912 607342175 /nfs/dbraw/zinc/34/21/75/607342175.db2.gz DSUISJXXJBJIFM-UHFFFAOYSA-N -1 3 399.436 1.064 20 50 GDGDHM Cc1ccc(N2C[C@H](C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CC2=O)cc1 ZINC000826289984 607344147 /nfs/dbraw/zinc/34/41/47/607344147.db2.gz VEQIXHIZVPIIQR-CQSZACIVSA-N -1 3 377.408 1.671 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cn(-c2ccccc2Cl)nn1 ZINC000826447854 607352148 /nfs/dbraw/zinc/35/21/48/607352148.db2.gz YWIIARHCVAMDIL-UHFFFAOYSA-N -1 3 381.787 1.858 20 50 GDGDHM COc1ccc(C(=O)CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000826187483 607355088 /nfs/dbraw/zinc/35/50/88/607355088.db2.gz RZMJCTUDSGAZLG-UHFFFAOYSA-N -1 3 396.407 1.990 20 50 GDGDHM CC(C)(NC(=O)Nc1ccccc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824166395 607356053 /nfs/dbraw/zinc/35/60/53/607356053.db2.gz HWCJFGQIKDOHIT-UHFFFAOYSA-N -1 3 380.412 1.910 20 50 GDGDHM CCOC(=O)C1(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000825492078 607394049 /nfs/dbraw/zinc/39/40/49/607394049.db2.gz CXOSGICYQBMZND-UHFFFAOYSA-N -1 3 384.318 1.672 20 50 GDGDHM CCOC(=O)C1(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000825492078 607394050 /nfs/dbraw/zinc/39/40/50/607394050.db2.gz CXOSGICYQBMZND-UHFFFAOYSA-N -1 3 384.318 1.672 20 50 GDGDHM O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826447873 607396942 /nfs/dbraw/zinc/39/69/42/607396942.db2.gz ZRGPWWVROJTEHP-UHFFFAOYSA-N -1 3 379.302 1.960 20 50 GDGDHM O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826447873 607396943 /nfs/dbraw/zinc/39/69/43/607396943.db2.gz ZRGPWWVROJTEHP-UHFFFAOYSA-N -1 3 379.302 1.960 20 50 GDGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826418473 607397145 /nfs/dbraw/zinc/39/71/45/607397145.db2.gz IPZPVWVIGCWPKU-UHFFFAOYSA-N -1 3 389.759 1.950 20 50 GDGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826418473 607397147 /nfs/dbraw/zinc/39/71/47/607397147.db2.gz IPZPVWVIGCWPKU-UHFFFAOYSA-N -1 3 389.759 1.950 20 50 GDGDHM O=C(NNc1cccc(F)c1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826449523 607398668 /nfs/dbraw/zinc/39/86/68/607398668.db2.gz XCAWNMDNODRLSW-UHFFFAOYSA-N -1 3 393.741 1.880 20 50 GDGDHM O=C(NNc1cccc(F)c1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826449523 607398670 /nfs/dbraw/zinc/39/86/70/607398670.db2.gz XCAWNMDNODRLSW-UHFFFAOYSA-N -1 3 393.741 1.880 20 50 GDGDHM CCOc1ccccc1C(=O)NCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825653353 607462896 /nfs/dbraw/zinc/46/28/96/607462896.db2.gz BMLZDVYDLDQSOH-UHFFFAOYSA-N -1 3 381.396 1.139 20 50 GDGDHM CCOc1ccccc1C(=O)NCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825653353 607462898 /nfs/dbraw/zinc/46/28/98/607462898.db2.gz BMLZDVYDLDQSOH-UHFFFAOYSA-N -1 3 381.396 1.139 20 50 GDGDHM COc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1N1CCNC1=O ZINC000826187276 607715504 /nfs/dbraw/zinc/71/55/04/607715504.db2.gz IWIUCMSUUOFFKD-UHFFFAOYSA-N -1 3 394.395 1.162 20 50 GDGDHM COc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1N1CCNC1=O ZINC000826187276 607715506 /nfs/dbraw/zinc/71/55/06/607715506.db2.gz IWIUCMSUUOFFKD-UHFFFAOYSA-N -1 3 394.395 1.162 20 50 GDGDHM Cc1sc2ncn(CC(=O)NNc3cccc(-c4nnn[n-]4)c3)c(=O)c2c1C ZINC000826350475 607719626 /nfs/dbraw/zinc/71/96/26/607719626.db2.gz YCIMPWCCDZFPJD-UHFFFAOYSA-N -1 3 396.436 1.398 20 50 GDGDHM Cc1sc2ncn(CC(=O)NNc3cccc(-c4nn[n-]n4)c3)c(=O)c2c1C ZINC000826350475 607719627 /nfs/dbraw/zinc/71/96/27/607719627.db2.gz YCIMPWCCDZFPJD-UHFFFAOYSA-N -1 3 396.436 1.398 20 50 GDGDHM O=C(C[C@H](c1ccccc1)N1CCOC1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404159 607724480 /nfs/dbraw/zinc/72/44/80/607724480.db2.gz QGLBDHQEYHKZAC-MRXNPFEDSA-N -1 3 393.407 1.893 20 50 GDGDHM O=C(C[C@H](c1ccccc1)N1CCOC1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404159 607724481 /nfs/dbraw/zinc/72/44/81/607724481.db2.gz QGLBDHQEYHKZAC-MRXNPFEDSA-N -1 3 393.407 1.893 20 50 GDGDHM Cc1nc2ccnn2c(C)c1CCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826329126 607726315 /nfs/dbraw/zinc/72/63/15/607726315.db2.gz QVRWEDFOVGCWJF-UHFFFAOYSA-N -1 3 377.412 1.602 20 50 GDGDHM Cc1nc2ccnn2c(C)c1CCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826329126 607726317 /nfs/dbraw/zinc/72/63/17/607726317.db2.gz QVRWEDFOVGCWJF-UHFFFAOYSA-N -1 3 377.412 1.602 20 50 GDGDHM CC(C)S(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824338251 607730939 /nfs/dbraw/zinc/73/09/39/607730939.db2.gz VEROKGBYOGINGI-UHFFFAOYSA-N -1 3 386.437 1.806 20 50 GDGDHM CC(C)S(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824338251 607730941 /nfs/dbraw/zinc/73/09/41/607730941.db2.gz VEROKGBYOGINGI-UHFFFAOYSA-N -1 3 386.437 1.806 20 50 GDGDHM CS(=O)(=O)Nc1ccc(C=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826223341 607731212 /nfs/dbraw/zinc/73/12/12/607731212.db2.gz JNGCVTYKGMZIEO-JXMROGBWSA-N -1 3 399.436 1.395 20 50 GDGDHM CS(=O)(=O)Nc1ccc(C=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826223341 607731214 /nfs/dbraw/zinc/73/12/14/607731214.db2.gz JNGCVTYKGMZIEO-JXMROGBWSA-N -1 3 399.436 1.395 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000823281362 606813005 /nfs/dbraw/zinc/81/30/05/606813005.db2.gz RDJJLZGIZMVECY-OAHLLOKOSA-N -1 3 384.444 1.284 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000823281362 606813007 /nfs/dbraw/zinc/81/30/07/606813007.db2.gz RDJJLZGIZMVECY-OAHLLOKOSA-N -1 3 384.444 1.284 20 50 GDGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCC1(C2CC2)CCC1 ZINC000826419465 607782573 /nfs/dbraw/zinc/78/25/73/607782573.db2.gz YRTQHVXPSDOPCT-UHFFFAOYSA-N -1 3 385.428 1.156 20 50 GDGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCC1(C2CC2)CCC1 ZINC000826419465 607782574 /nfs/dbraw/zinc/78/25/74/607782574.db2.gz YRTQHVXPSDOPCT-UHFFFAOYSA-N -1 3 385.428 1.156 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1COc2ccccc21 ZINC000824500217 607854643 /nfs/dbraw/zinc/85/46/43/607854643.db2.gz VDHPCFDYHDRTBS-IAQYHMDHSA-N -1 3 393.407 1.375 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1COc2ccccc21 ZINC000824500217 607854644 /nfs/dbraw/zinc/85/46/44/607854644.db2.gz VDHPCFDYHDRTBS-IAQYHMDHSA-N -1 3 393.407 1.375 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826417107 607879957 /nfs/dbraw/zinc/87/99/57/607879957.db2.gz DOTBAELMYUCGIS-FVQBIDKESA-N -1 3 398.467 1.999 20 50 GDGDHM Cc1nc(N(C)C)sc1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826326702 607882010 /nfs/dbraw/zinc/88/20/10/607882010.db2.gz AIUYSECGUSQJHA-UHFFFAOYSA-N -1 3 386.441 1.227 20 50 GDGDHM O=C(CN1CCC[C@H]1c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410489 607921215 /nfs/dbraw/zinc/92/12/15/607921215.db2.gz PADILWXSUBVQDA-KRWDZBQOSA-N -1 3 391.435 1.465 20 50 GDGDHM Cc1ccc(CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000826287959 607921948 /nfs/dbraw/zinc/92/19/48/607921948.db2.gz KSQOKQDHUGUYBU-UHFFFAOYSA-N -1 3 395.423 1.194 20 50 GDGDHM Cc1ccc(CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000826287959 607921949 /nfs/dbraw/zinc/92/19/49/607921949.db2.gz KSQOKQDHUGUYBU-UHFFFAOYSA-N -1 3 395.423 1.194 20 50 GDGDHM C[C@@H](c1ccco1)N(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000824770852 607924923 /nfs/dbraw/zinc/92/49/23/607924923.db2.gz NHTHOENOQUVYNJ-LBPRGKRZSA-N -1 3 395.423 1.446 20 50 GDGDHM C[C@@H](c1ccco1)N(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000824770852 607924924 /nfs/dbraw/zinc/92/49/24/607924924.db2.gz NHTHOENOQUVYNJ-LBPRGKRZSA-N -1 3 395.423 1.446 20 50 GDGDHM CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948190 608093206 /nfs/dbraw/zinc/09/32/06/608093206.db2.gz GGNZIZISLQTXGL-UHFFFAOYSA-N -1 3 380.397 1.058 20 50 GDGDHM O=C(NNc1ccc(Cl)nn1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826447696 608141405 /nfs/dbraw/zinc/14/14/05/608141405.db2.gz RZWSZQFBIUWAIE-UHFFFAOYSA-N -1 3 394.182 1.045 20 50 GDGDHM O=C(NNc1ncccc1Cl)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826449725 608141497 /nfs/dbraw/zinc/14/14/97/608141497.db2.gz HEZYQFDVVVSMCT-UHFFFAOYSA-N -1 3 376.739 1.136 20 50 GDGDHM O=C(NNc1ncccc1Cl)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826449725 608141498 /nfs/dbraw/zinc/14/14/98/608141498.db2.gz HEZYQFDVVVSMCT-UHFFFAOYSA-N -1 3 376.739 1.136 20 50 GDGDHM O=C(NNc1ccccc1C(F)(F)F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826449232 608142380 /nfs/dbraw/zinc/14/23/80/608142380.db2.gz IMHIBPMUQIMLQN-UHFFFAOYSA-N -1 3 391.313 1.967 20 50 GDGDHM O=C(NNc1ccccc1C(F)(F)F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826449232 608142381 /nfs/dbraw/zinc/14/23/81/608142381.db2.gz IMHIBPMUQIMLQN-UHFFFAOYSA-N -1 3 391.313 1.967 20 50 GDGDHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000826414094 608216329 /nfs/dbraw/zinc/21/63/29/608216329.db2.gz FGEHAVZNSWOKLB-UHFFFAOYSA-N -1 3 396.455 1.037 20 50 GDGDHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000826414094 608216330 /nfs/dbraw/zinc/21/63/30/608216330.db2.gz FGEHAVZNSWOKLB-UHFFFAOYSA-N -1 3 396.455 1.037 20 50 GDGDHM CC(=NNC(=O)C(=O)NCc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823942740 608219178 /nfs/dbraw/zinc/21/91/78/608219178.db2.gz 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1.558 20 50 GDGDHM O=C(NNC(=O)N1CCO[C@@H](c2cccs2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277238 946397574 /nfs/dbraw/zinc/39/75/74/946397574.db2.gz HRBFIQQNOGTIRR-CYBMUJFWSA-N -1 3 399.436 1.356 20 50 GDGDHM O=C(NNC(=O)N1CCO[C@@H](c2cccs2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277238 946397587 /nfs/dbraw/zinc/39/75/87/946397587.db2.gz HRBFIQQNOGTIRR-CYBMUJFWSA-N -1 3 399.436 1.356 20 50 GDGDHM CC(C)(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824071598 946575525 /nfs/dbraw/zinc/57/55/25/946575525.db2.gz KPDRZPLXNLDYOA-KBPBESRZSA-N -1 3 387.444 1.404 20 50 GDGDHM CC(C)(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824071598 946575531 /nfs/dbraw/zinc/57/55/31/946575531.db2.gz KPDRZPLXNLDYOA-KBPBESRZSA-N -1 3 387.444 1.404 20 50 GDGDHM CC(C)C(=O)NNC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824185271 946613792 /nfs/dbraw/zinc/61/37/92/946613792.db2.gz UAXASCWCNRGHNZ-UHFFFAOYSA-N -1 3 389.807 1.515 20 50 GDGDHM CC(C)C(=O)NNC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824185271 946613796 /nfs/dbraw/zinc/61/37/96/946613796.db2.gz UAXASCWCNRGHNZ-UHFFFAOYSA-N -1 3 389.807 1.515 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000826446783 607342127 /nfs/dbraw/zinc/34/21/27/607342127.db2.gz YGFWVKVDWCOWAS-CQSZACIVSA-N -1 3 398.471 1.674 20 50 GDGDHM O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826446291 607343454 /nfs/dbraw/zinc/34/34/54/607343454.db2.gz GMYVWLOLGPMQLN-KRWDZBQOSA-N -1 3 391.435 1.544 20 50 GDGDHM CCn1c(=O)[nH]c2cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)ccc2c1=O ZINC000825782272 607346588 /nfs/dbraw/zinc/34/65/88/607346588.db2.gz AIDGDCHFPXHNQD-UHFFFAOYSA-N -1 3 392.379 1.059 20 50 GDGDHM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824193329 607354492 /nfs/dbraw/zinc/35/44/92/607354492.db2.gz WZBGCPUDGLBQRD-ZDUSSCGKSA-N -1 3 375.433 1.859 20 50 GDGDHM NC(=O)N1CCC[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000826392173 607394812 /nfs/dbraw/zinc/39/48/12/607394812.db2.gz PMRBASSGUMZZNZ-QMMMGPOBSA-N -1 3 398.349 1.119 20 50 GDGDHM NC(=O)N1CCC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000826392173 607394814 /nfs/dbraw/zinc/39/48/14/607394814.db2.gz PMRBASSGUMZZNZ-QMMMGPOBSA-N -1 3 398.349 1.119 20 50 GDGDHM CCC(=O)N1CC[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000825035177 607513166 /nfs/dbraw/zinc/51/31/66/607513166.db2.gz WKEFXXJCKQJAAT-VIFPVBQESA-N -1 3 397.361 1.587 20 50 GDGDHM CCC(=O)N1CC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000825035177 607513168 /nfs/dbraw/zinc/51/31/68/607513168.db2.gz WKEFXXJCKQJAAT-VIFPVBQESA-N -1 3 397.361 1.587 20 50 GDGDHM COc1cc(NC(C)=O)ccc1C(C)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826180639 607652460 /nfs/dbraw/zinc/65/24/60/607652460.db2.gz QMMSOQUQLTWVBT-UHFFFAOYSA-N -1 3 393.407 1.988 20 50 GDGDHM COc1cc(NC(C)=O)ccc1C(C)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826180639 607652462 /nfs/dbraw/zinc/65/24/62/607652462.db2.gz QMMSOQUQLTWVBT-UHFFFAOYSA-N -1 3 393.407 1.988 20 50 GDGDHM CS(=O)(=O)c1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826223874 607711471 /nfs/dbraw/zinc/71/14/71/607711471.db2.gz DIPKBTLXHRTVAU-UHFFFAOYSA-N -1 3 392.828 1.681 20 50 GDGDHM CS(=O)(=O)c1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826223874 607711474 /nfs/dbraw/zinc/71/14/74/607711474.db2.gz DIPKBTLXHRTVAU-UHFFFAOYSA-N -1 3 392.828 1.681 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NNc2ccc([N+](=O)[O-])cc2)cc(-c2nnn[n-]2)n1C ZINC000826235771 607711497 /nfs/dbraw/zinc/71/14/97/607711497.db2.gz QTOKMBIWMXBEBI-KPKJPENVSA-N -1 3 393.367 1.472 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NNc2ccc([N+](=O)[O-])cc2)cc(-c2nn[n-]n2)n1C ZINC000826235771 607711499 /nfs/dbraw/zinc/71/14/99/607711499.db2.gz QTOKMBIWMXBEBI-KPKJPENVSA-N -1 3 393.367 1.472 20 50 GDGDHM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824077962 607719917 /nfs/dbraw/zinc/71/99/17/607719917.db2.gz GIRUTEQCVKKBPJ-CYBMUJFWSA-N -1 3 389.485 1.648 20 50 GDGDHM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824077962 607719919 /nfs/dbraw/zinc/71/99/19/607719919.db2.gz GIRUTEQCVKKBPJ-CYBMUJFWSA-N -1 3 389.485 1.648 20 50 GDGDHM CCS(=O)(=O)c1ccc(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825668330 607720758 /nfs/dbraw/zinc/72/07/58/607720758.db2.gz DLEYRZBFHUDTCC-UHFFFAOYSA-N -1 3 386.437 1.346 20 50 GDGDHM CCS(=O)(=O)c1ccc(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825668330 607720759 /nfs/dbraw/zinc/72/07/59/607720759.db2.gz DLEYRZBFHUDTCC-UHFFFAOYSA-N -1 3 386.437 1.346 20 50 GDGDHM O=C(CN1CCN(Cc2ccccc2)CC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826410866 607721201 /nfs/dbraw/zinc/72/12/01/607721201.db2.gz ATADEXTXWHOXMI-UHFFFAOYSA-N -1 3 392.467 1.128 20 50 GDGDHM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824412773 607724236 /nfs/dbraw/zinc/72/42/36/607724236.db2.gz FNROHHVRFUWEMW-NSHDSACASA-N -1 3 375.433 1.813 20 50 GDGDHM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824412773 607724238 /nfs/dbraw/zinc/72/42/38/607724238.db2.gz FNROHHVRFUWEMW-NSHDSACASA-N -1 3 375.433 1.813 20 50 GDGDHM O=C(NNc1c(F)cc(F)cc1Br)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826445301 607744053 /nfs/dbraw/zinc/74/40/53/607744053.db2.gz OOFUOUYEALVJTF-UHFFFAOYSA-N -1 3 384.144 1.992 20 50 GDGDHM O=C(NNc1c(F)cc(F)cc1Br)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445301 607744054 /nfs/dbraw/zinc/74/40/54/607744054.db2.gz OOFUOUYEALVJTF-UHFFFAOYSA-N -1 3 384.144 1.992 20 50 GDGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000823280579 606817721 /nfs/dbraw/zinc/81/77/21/606817721.db2.gz BXJZZVGCPNCOMY-UHFFFAOYSA-N -1 3 394.273 1.946 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000823280579 606817723 /nfs/dbraw/zinc/81/77/23/606817723.db2.gz BXJZZVGCPNCOMY-UHFFFAOYSA-N -1 3 394.273 1.946 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)[C@H](O)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000826236155 607823597 /nfs/dbraw/zinc/82/35/97/607823597.db2.gz ZZJIUCFRUGHROD-ACQAZONXSA-N -1 3 385.472 1.580 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)[C@H](O)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000826236155 607823598 /nfs/dbraw/zinc/82/35/98/607823598.db2.gz ZZJIUCFRUGHROD-ACQAZONXSA-N -1 3 385.472 1.580 20 50 GDGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=Cc1cnc([C@@H]2CCCO2)s1 ZINC000826419032 607883130 /nfs/dbraw/zinc/88/31/30/607883130.db2.gz GVHUYOBNIQOQSB-AWEZNQCLSA-N -1 3 399.436 1.704 20 50 GDGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=Cc1cnc([C@@H]2CCCO2)s1 ZINC000826419032 607883131 /nfs/dbraw/zinc/88/31/31/607883131.db2.gz GVHUYOBNIQOQSB-AWEZNQCLSA-N -1 3 399.436 1.704 20 50 GDGDHM Cc1ccc(C)c(N(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826285389 607921744 /nfs/dbraw/zinc/92/17/44/607921744.db2.gz YNXRFECDWRAXOK-UHFFFAOYSA-N -1 3 379.424 1.381 20 50 GDGDHM Cc1ccc(C)c(N(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826285389 607921745 /nfs/dbraw/zinc/92/17/45/607921745.db2.gz YNXRFECDWRAXOK-UHFFFAOYSA-N -1 3 379.424 1.381 20 50 GDGDHM C[C@@H]1c2ccccc2CCN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825029379 607922065 /nfs/dbraw/zinc/92/20/65/607922065.db2.gz QTYRYYVRYUMBPL-CYBMUJFWSA-N -1 3 391.435 1.247 20 50 GDGDHM C[C@@H]1c2ccccc2CCN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825029379 607922066 /nfs/dbraw/zinc/92/20/66/607922066.db2.gz QTYRYYVRYUMBPL-CYBMUJFWSA-N -1 3 391.435 1.247 20 50 GDGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C)c1 ZINC000825395604 607924249 /nfs/dbraw/zinc/92/42/49/607924249.db2.gz SJFDZKWPGZVJIY-UHFFFAOYSA-N -1 3 379.424 1.463 20 50 GDGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C)c1 ZINC000825395604 607924250 /nfs/dbraw/zinc/92/42/50/607924250.db2.gz SJFDZKWPGZVJIY-UHFFFAOYSA-N -1 3 379.424 1.463 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)C[C@H](O)c2ccco2)cc(-c2nnn[n-]2)n1C ZINC000826235232 608073314 /nfs/dbraw/zinc/07/33/14/608073314.db2.gz FTOLYTMKDDRNGY-JCWNHRBISA-N -1 3 395.423 1.642 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)C[C@H](O)c2ccco2)cc(-c2nn[n-]n2)n1C ZINC000826235232 608073315 /nfs/dbraw/zinc/07/33/15/608073315.db2.gz FTOLYTMKDDRNGY-JCWNHRBISA-N -1 3 395.423 1.642 20 50 GDGDHM CC(=NNC(=O)COc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948431 609157185 /nfs/dbraw/zinc/15/71/85/609157185.db2.gz MMDABIXRAVMNDJ-UHFFFAOYSA-N -1 3 379.355 1.797 20 50 GDGDHM CC(=NNC(=O)COc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948431 609157186 /nfs/dbraw/zinc/15/71/86/609157186.db2.gz MMDABIXRAVMNDJ-UHFFFAOYSA-N -1 3 379.355 1.797 20 50 GDGDHM CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823943571 609158354 /nfs/dbraw/zinc/15/83/54/609158354.db2.gz QMUMZICDOATXOK-UHFFFAOYSA-N -1 3 381.371 1.793 20 50 GDGDHM CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823943571 609158356 /nfs/dbraw/zinc/15/83/56/609158356.db2.gz QMUMZICDOATXOK-UHFFFAOYSA-N -1 3 381.371 1.793 20 50 GDGDHM O=C(NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC000826444854 609205190 /nfs/dbraw/zinc/20/51/90/609205190.db2.gz XGPAXTZFXSXVCQ-KRWDZBQOSA-N -1 3 388.387 1.515 20 50 GDGDHM O=C(NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000826444854 609205193 /nfs/dbraw/zinc/20/51/93/609205193.db2.gz XGPAXTZFXSXVCQ-KRWDZBQOSA-N -1 3 388.387 1.515 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cnc3c(c2)COCC3)cc(-c2nnn[n-]2)n1C ZINC000826235514 609266605 /nfs/dbraw/zinc/26/66/05/609266605.db2.gz LGHUCHYPBMJTHG-WLRTZDKTSA-N -1 3 390.407 1.527 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cnc3c(c2)COCC3)cc(-c2nn[n-]n2)n1C ZINC000826235514 609266606 /nfs/dbraw/zinc/26/66/06/609266606.db2.gz LGHUCHYPBMJTHG-WLRTZDKTSA-N -1 3 390.407 1.527 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)c2ccccc2)cc(-c2nnn[n-]2)n1C ZINC000826236060 609388727 /nfs/dbraw/zinc/38/87/27/609388727.db2.gz XSIJGLDKIWZXST-AHQMPEJBSA-N -1 3 377.408 1.270 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)c2ccccc2)cc(-c2nn[n-]n2)n1C ZINC000826236060 609388729 /nfs/dbraw/zinc/38/87/29/609388729.db2.gz XSIJGLDKIWZXST-AHQMPEJBSA-N -1 3 377.408 1.270 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NNc2cc(Cl)ccn2)cc(-c2nnn[n-]2)n1C ZINC000826236048 609399421 /nfs/dbraw/zinc/39/94/21/609399421.db2.gz XGXULNMXPJAXBP-VZUCSPMQSA-N -1 3 383.803 1.612 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NNc2cc(Cl)ccn2)cc(-c2nn[n-]n2)n1C ZINC000826236048 609399424 /nfs/dbraw/zinc/39/94/24/609399424.db2.gz XGXULNMXPJAXBP-VZUCSPMQSA-N -1 3 383.803 1.612 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cccc(CCCO)c2)cc(-c2nnn[n-]2)n1C ZINC000826235669 609428337 /nfs/dbraw/zinc/42/83/37/609428337.db2.gz OQVVOIUOCLKFEX-MHWRWJLKSA-N -1 3 391.435 1.984 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cccc(CCCO)c2)cc(-c2nn[n-]n2)n1C ZINC000826235669 609428338 /nfs/dbraw/zinc/42/83/38/609428338.db2.gz OQVVOIUOCLKFEX-MHWRWJLKSA-N -1 3 391.435 1.984 20 50 GDGDHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCCC[C@@H]1CCSS1 ZINC000737770089 945121937 /nfs/dbraw/zinc/12/19/37/945121937.db2.gz HKYZZRXTCPXWAN-SNVBAGLBSA-N -1 3 383.503 1.903 20 50 GDGDHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCCC[C@@H]1CCSS1 ZINC000737770089 945121941 /nfs/dbraw/zinc/12/19/41/945121941.db2.gz HKYZZRXTCPXWAN-SNVBAGLBSA-N -1 3 383.503 1.903 20 50 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388.391 1.186 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cn2ccnc2)cc1 ZINC000738134805 945222833 /nfs/dbraw/zinc/22/28/33/945222833.db2.gz UCOUCZUWLIOGOH-UHFFFAOYSA-N -1 3 388.391 1.186 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000738135713 945226988 /nfs/dbraw/zinc/22/69/88/945226988.db2.gz BBUOCFHQOUGVNE-KRWDZBQOSA-N -1 3 391.435 1.832 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000738135713 945226992 /nfs/dbraw/zinc/22/69/92/945226992.db2.gz BBUOCFHQOUGVNE-KRWDZBQOSA-N -1 3 391.435 1.832 20 50 GDGDHM CC(=NNC(=O)c1ccncc1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735450668 944658852 /nfs/dbraw/zinc/65/88/52/944658852.db2.gz CBVIBEFRKQVMBB-UHFFFAOYSA-N -1 3 387.407 1.910 20 50 GDGDHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735628636 944680376 /nfs/dbraw/zinc/68/03/76/944680376.db2.gz VMXJKFFXXXTANH-ZDUSSCGKSA-N -1 3 388.432 1.502 20 50 GDGDHM 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CCOc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000736636911 944861781 /nfs/dbraw/zinc/86/17/81/944861781.db2.gz LGHLZVGGEWPMFR-UHFFFAOYSA-N -1 3 397.351 1.248 20 50 GDGDHM CCc1cccc(NC(=S)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736697493 944870837 /nfs/dbraw/zinc/87/08/37/944870837.db2.gz GSLLCLYBVKDVJK-UHFFFAOYSA-N -1 3 397.464 1.826 20 50 GDGDHM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736773396 944887975 /nfs/dbraw/zinc/88/79/75/944887975.db2.gz LSPRLRLRYDUWMS-SJORKVTESA-N -1 3 391.435 1.497 20 50 GDGDHM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736773396 944887985 /nfs/dbraw/zinc/88/79/85/944887985.db2.gz LSPRLRLRYDUWMS-SJORKVTESA-N -1 3 391.435 1.497 20 50 GDGDHM COC(=O)[C@H](NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000736896340 944907361 /nfs/dbraw/zinc/90/73/61/944907361.db2.gz INCUDJDMNWXNLN-CQSZACIVSA-N -1 3 386.799 1.669 20 50 GDGDHM COC(=O)[C@H](NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 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C[C@H](CCc1cccn1C)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820253465 945399581 /nfs/dbraw/zinc/39/95/81/945399581.db2.gz IUBGTCXYMWCKCQ-GFCCVEGCSA-N -1 3 382.428 1.171 20 50 GDGDHM C[C@H](CCc1cccn1C)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820253465 945399590 /nfs/dbraw/zinc/39/95/90/945399590.db2.gz IUBGTCXYMWCKCQ-GFCCVEGCSA-N -1 3 382.428 1.171 20 50 GDGDHM C[C@H](COCc1ccccc1)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820286960 945405757 /nfs/dbraw/zinc/40/57/57/945405757.db2.gz HGRKOIDEGHXIPD-CYBMUJFWSA-N -1 3 395.423 1.416 20 50 GDGDHM C[C@H](COCc1ccccc1)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820286960 945405763 /nfs/dbraw/zinc/40/57/63/945405763.db2.gz HGRKOIDEGHXIPD-CYBMUJFWSA-N -1 3 395.423 1.416 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373467 945434211 /nfs/dbraw/zinc/43/42/11/945434211.db2.gz ICHBGANKYHAHHT-BZNIZROVSA-N -1 3 393.407 1.262 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373467 945434219 /nfs/dbraw/zinc/43/42/19/945434219.db2.gz ICHBGANKYHAHHT-BZNIZROVSA-N -1 3 393.407 1.262 20 50 GDGDHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820736316 945541907 /nfs/dbraw/zinc/54/19/07/945541907.db2.gz YPYBEAJQCYTRDP-IAQYHMDHSA-N -1 3 384.444 1.140 20 50 GDGDHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820736316 945541912 /nfs/dbraw/zinc/54/19/12/945541912.db2.gz YPYBEAJQCYTRDP-IAQYHMDHSA-N -1 3 384.444 1.140 20 50 GDGDHM C[C@H]1Cc2ccccc2CN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820813220 945558960 /nfs/dbraw/zinc/55/89/60/945558960.db2.gz BIONLDYZPQBYMP-LBPRGKRZSA-N -1 3 377.408 1.668 20 50 GDGDHM C[C@H]1Cc2ccccc2CN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820813220 945558965 /nfs/dbraw/zinc/55/89/65/945558965.db2.gz BIONLDYZPQBYMP-LBPRGKRZSA-N -1 3 377.408 1.668 20 50 GDGDHM CC[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000820921042 945589306 /nfs/dbraw/zinc/58/93/06/945589306.db2.gz VBSOVQAXZVXPQK-AWEZNQCLSA-N -1 3 396.411 1.122 20 50 GDGDHM CC[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000820921042 945589317 /nfs/dbraw/zinc/58/93/17/945589317.db2.gz VBSOVQAXZVXPQK-AWEZNQCLSA-N -1 3 396.411 1.122 20 50 GDGDHM CCO[C@H](CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821351134 945677265 /nfs/dbraw/zinc/67/72/65/945677265.db2.gz LOGRSHIDZOINOK-CQSZACIVSA-N -1 3 375.433 1.262 20 50 GDGDHM CCO[C@H](CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821351134 945677272 /nfs/dbraw/zinc/67/72/72/945677272.db2.gz LOGRSHIDZOINOK-CQSZACIVSA-N -1 3 375.433 1.262 20 50 GDGDHM CCOc1cccc(NC(=S)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821431010 945695261 /nfs/dbraw/zinc/69/52/61/945695261.db2.gz JYMJXMIJZDJYRS-UHFFFAOYSA-N -1 3 383.437 1.897 20 50 GDGDHM CCOc1cccc(NC(=S)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821431010 945695269 /nfs/dbraw/zinc/69/52/69/945695269.db2.gz JYMJXMIJZDJYRS-UHFFFAOYSA-N -1 3 383.437 1.897 20 50 GDGDHM CCOc1ccccc1OCC(=O)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821436479 945695722 /nfs/dbraw/zinc/69/57/22/945695722.db2.gz ACFSEYWUTAKGJP-UHFFFAOYSA-N -1 3 396.407 1.034 20 50 GDGDHM CCOc1ccccc1OCC(=O)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821436479 945695727 /nfs/dbraw/zinc/69/57/27/945695727.db2.gz ACFSEYWUTAKGJP-UHFFFAOYSA-N -1 3 396.407 1.034 20 50 GDGDHM CN(C)c1cc(C(=O)NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)ccn1 ZINC000821588151 945727980 /nfs/dbraw/zinc/72/79/80/945727980.db2.gz DPABEOWASLVXCX-UHFFFAOYSA-N -1 3 376.424 1.798 20 50 GDGDHM CN(C)c1cc(C(=O)NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)ccn1 ZINC000821588151 945727986 /nfs/dbraw/zinc/72/79/86/945727986.db2.gz DPABEOWASLVXCX-UHFFFAOYSA-N -1 3 376.424 1.798 20 50 GDGDHM COC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821683057 945806484 /nfs/dbraw/zinc/80/64/84/945806484.db2.gz UTRCYQQTANTHHQ-INIZCTEOSA-N -1 3 395.423 1.068 20 50 GDGDHM COC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821683057 945806491 /nfs/dbraw/zinc/80/64/91/945806491.db2.gz UTRCYQQTANTHHQ-INIZCTEOSA-N -1 3 395.423 1.068 20 50 GDGDHM COc1ccccc1C(=O)NNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821882600 945895725 /nfs/dbraw/zinc/89/57/25/945895725.db2.gz FOLHWXUPALNCKQ-UHFFFAOYSA-N -1 3 385.359 1.159 20 50 GDGDHM Cc1c2ccccc2oc(=O)c1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822020441 945922524 /nfs/dbraw/zinc/92/25/24/945922524.db2.gz CMECURRYPIUQBW-UHFFFAOYSA-N -1 3 390.359 1.356 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)Cc2ccccc2)cc(-c2nnn[n-]2)n1C ZINC000822027170 945929160 /nfs/dbraw/zinc/92/91/60/945929160.db2.gz DZXLHGRXLUEBAV-STKCSNAVSA-N -1 3 391.435 1.140 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)Cc2ccccc2)cc(-c2nn[n-]n2)n1C ZINC000822027170 945929170 /nfs/dbraw/zinc/92/91/70/945929170.db2.gz DZXLHGRXLUEBAV-STKCSNAVSA-N -1 3 391.435 1.140 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCc2cccc(O)c2)cc(-c2nn[n-]n2)n1C ZINC000822027232 945930781 /nfs/dbraw/zinc/93/07/81/945930781.db2.gz FSJHRVJBXFUTEZ-DHDCSXOGSA-N -1 3 377.408 1.485 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](CO)c2ccccc2)cc(-c2nnn[n-]2)n1C ZINC000822028519 945944249 /nfs/dbraw/zinc/94/42/49/945944249.db2.gz OUAKEAQZLHPZIW-QOTSWMAJSA-N -1 3 391.435 1.313 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](CO)c2ccccc2)cc(-c2nn[n-]n2)n1C ZINC000822028519 945944255 /nfs/dbraw/zinc/94/42/55/945944255.db2.gz OUAKEAQZLHPZIW-QOTSWMAJSA-N -1 3 391.435 1.313 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](CO)c2ccccc2)cc(-c2nnn[n-]2)n1C ZINC000822028513 945944545 /nfs/dbraw/zinc/94/45/45/945944545.db2.gz OUAKEAQZLHPZIW-KZRVJCNKSA-N -1 3 391.435 1.313 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](CO)c2ccccc2)cc(-c2nn[n-]n2)n1C ZINC000822028513 945944553 /nfs/dbraw/zinc/94/45/53/945944553.db2.gz OUAKEAQZLHPZIW-KZRVJCNKSA-N -1 3 391.435 1.313 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](C)Cn2ccnc2)cc(-c2nn[n-]n2)n1C ZINC000822029466 945958010 /nfs/dbraw/zinc/95/80/10/945958010.db2.gz ZCGGZDVCVGULEQ-FVTUNSQFSA-N -1 3 379.428 1.070 20 50 GDGDHM Cc1ccc(CC[C@H](C)NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822234890 946019362 /nfs/dbraw/zinc/01/93/62/946019362.db2.gz KRGKCJQZFMCKQV-NSHDSACASA-N -1 3 383.412 1.733 20 50 GDGDHM Cc1ccc(CC[C@H](C)NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822234890 946019374 /nfs/dbraw/zinc/01/93/74/946019374.db2.gz KRGKCJQZFMCKQV-NSHDSACASA-N -1 3 383.412 1.733 20 50 GDGDHM Cc1ccccc1O[C@@H](C)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822362381 946069773 /nfs/dbraw/zinc/06/97/73/946069773.db2.gz QVBVRBGZNDCQLO-ZDUSSCGKSA-N -1 3 395.423 1.587 20 50 GDGDHM Cc1ccccc1O[C@@H](C)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822362381 946069786 /nfs/dbraw/zinc/06/97/86/946069786.db2.gz QVBVRBGZNDCQLO-ZDUSSCGKSA-N -1 3 395.423 1.587 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H]1CCCc2sccc21 ZINC000823037170 946287334 /nfs/dbraw/zinc/28/73/34/946287334.db2.gz RPTBVUFZGKAANV-AWEZNQCLSA-N -1 3 398.448 1.575 20 50 GDGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823277177 946395972 /nfs/dbraw/zinc/39/59/72/946395972.db2.gz GICOMOGALOBLJW-HOTGVXAUSA-N -1 3 377.408 1.442 20 50 GDGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823277177 946395981 /nfs/dbraw/zinc/39/59/81/946395981.db2.gz GICOMOGALOBLJW-HOTGVXAUSA-N -1 3 377.408 1.442 20 50 GDGDHM CC(C)C(=O)NNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000824184955 946613126 /nfs/dbraw/zinc/61/31/26/946613126.db2.gz OQJVNYJHPFFLKQ-UHFFFAOYSA-N -1 3 382.384 1.863 20 50 GDGDHM CC(C)C(=O)NNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824184955 946613137 /nfs/dbraw/zinc/61/31/37/946613137.db2.gz OQJVNYJHPFFLKQ-UHFFFAOYSA-N -1 3 382.384 1.863 20 50 GDGDHM CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC001573547790 946840479 /nfs/dbraw/zinc/84/04/79/946840479.db2.gz UUTGXCQRBQWGNL-UHFFFAOYSA-N -1 3 399.798 1.553 20 50 GDGDHM CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC001573547790 946840492 /nfs/dbraw/zinc/84/04/92/946840492.db2.gz UUTGXCQRBQWGNL-UHFFFAOYSA-N -1 3 399.798 1.553 20 50 GDGDHM O=C(NCc1ccc(N2CCOC2=O)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826442371 948304283 /nfs/dbraw/zinc/30/42/83/948304283.db2.gz SNZZGAGBGVMKGO-UHFFFAOYSA-N -1 3 394.395 1.650 20 50 GDGDHM O=C(NCc1ccc(N2CCOC2=O)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826442371 948304287 /nfs/dbraw/zinc/30/42/87/948304287.db2.gz SNZZGAGBGVMKGO-UHFFFAOYSA-N -1 3 394.395 1.650 20 50 GDGDHM Cc1nn(CCC(=O)[O-])c(C)c1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1 ZINC000738922326 978608812 /nfs/dbraw/zinc/60/88/12/978608812.db2.gz GMSCWEUKHHJCDP-RDBSUJKOSA-N -1 3 393.488 1.170 20 50 GDGDHM C#Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000823862130 607338538 /nfs/dbraw/zinc/33/85/38/607338538.db2.gz XXRCMBBDHJPIDW-UHFFFAOYSA-N -1 3 377.433 1.788 20 50 GDGDHM C#Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000823862130 607338539 /nfs/dbraw/zinc/33/85/39/607338539.db2.gz XXRCMBBDHJPIDW-UHFFFAOYSA-N -1 3 377.433 1.788 20 50 GDGDHM COc1ccccc1NC(=S)NNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826220722 607339290 /nfs/dbraw/zinc/33/92/90/607339290.db2.gz XRXBVKXWCDAPJN-UHFFFAOYSA-N -1 3 383.437 1.815 20 50 GDGDHM COc1ccccc1NC(=S)NNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826220722 607339293 /nfs/dbraw/zinc/33/92/93/607339293.db2.gz XRXBVKXWCDAPJN-UHFFFAOYSA-N -1 3 383.437 1.815 20 50 GDGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNc2cccc(F)c2)cc1 ZINC000826394979 607339587 /nfs/dbraw/zinc/33/95/87/607339587.db2.gz HKUPQBQCSLDASF-UHFFFAOYSA-N -1 3 379.359 1.531 20 50 GDGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNc2cccc(F)c2)cc1 ZINC000826394979 607339588 /nfs/dbraw/zinc/33/95/88/607339588.db2.gz HKUPQBQCSLDASF-UHFFFAOYSA-N -1 3 379.359 1.531 20 50 GDGDHM O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826425835 607342349 /nfs/dbraw/zinc/34/23/49/607342349.db2.gz VYDQQSWPLYTEET-UHFFFAOYSA-N -1 3 396.802 1.317 20 50 GDGDHM Cn1c2ccccc2n(CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000826354454 607344571 /nfs/dbraw/zinc/34/45/71/607344571.db2.gz FBEKTGQGTANIBC-UHFFFAOYSA-N -1 3 378.396 1.054 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(N2CCNC2=O)ccc1F ZINC000826446987 607345149 /nfs/dbraw/zinc/34/51/49/607345149.db2.gz ILCVICKJUOBUNW-UHFFFAOYSA-N -1 3 382.359 1.292 20 50 GDGDHM C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824522009 607350336 /nfs/dbraw/zinc/35/03/36/607350336.db2.gz PEYVGJJBWPUBBC-SNVBAGLBSA-N -1 3 385.815 1.782 20 50 GDGDHM COc1ccc(CNC(=O)NN=c2nc[nH]c3ccsc32)cc1-c1nnn[n-]1 ZINC000826200431 607571959 /nfs/dbraw/zinc/57/19/59/607571959.db2.gz PIYJVLLXIIMLCA-UHFFFAOYSA-N -1 3 397.424 1.706 20 50 GDGDHM COc1ccc(CNC(=O)NN=c2nc[nH]c3ccsc32)cc1-c1nn[n-]n1 ZINC000826200431 607571960 /nfs/dbraw/zinc/57/19/60/607571960.db2.gz PIYJVLLXIIMLCA-UHFFFAOYSA-N -1 3 397.424 1.706 20 50 GDGDHM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824064262 607714483 /nfs/dbraw/zinc/71/44/83/607714483.db2.gz FIVMPAVMMWZSPZ-GFCCVEGCSA-N -1 3 375.458 1.257 20 50 GDGDHM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824064262 607714485 /nfs/dbraw/zinc/71/44/85/607714485.db2.gz FIVMPAVMMWZSPZ-GFCCVEGCSA-N -1 3 375.458 1.257 20 50 GDGDHM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825074327 607718613 /nfs/dbraw/zinc/71/86/13/607718613.db2.gz GGBBPPGLGRAKLY-DOMZBBRYSA-N -1 3 386.460 1.530 20 50 GDGDHM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825074327 607718615 /nfs/dbraw/zinc/71/86/15/607718615.db2.gz GGBBPPGLGRAKLY-DOMZBBRYSA-N -1 3 386.460 1.530 20 50 GDGDHM Cc1cccc(N2C[C@@H](C(=O)NNc3cccc(-c4nnn[n-]4)c3)CC2=O)c1C ZINC000826298593 607722596 /nfs/dbraw/zinc/72/25/96/607722596.db2.gz AHNJJOQLPMKIGU-HNNXBMFYSA-N -1 3 391.435 1.980 20 50 GDGDHM Cc1cccc(N2C[C@@H](C(=O)NNc3cccc(-c4nn[n-]n4)c3)CC2=O)c1C ZINC000826298593 607722598 /nfs/dbraw/zinc/72/25/98/607722598.db2.gz AHNJJOQLPMKIGU-HNNXBMFYSA-N -1 3 391.435 1.980 20 50 GDGDHM O=C(CCc1nnc(-c2ccccc2)o1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408959 607726592 /nfs/dbraw/zinc/72/65/92/607726592.db2.gz BZIDDSNWGHHAKK-UHFFFAOYSA-N -1 3 376.380 1.993 20 50 GDGDHM O=C(CCc1nnc(-c2ccccc2)o1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408959 607726593 /nfs/dbraw/zinc/72/65/93/607726593.db2.gz BZIDDSNWGHHAKK-UHFFFAOYSA-N -1 3 376.380 1.993 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1N1CCOCC1 ZINC000826449053 607727190 /nfs/dbraw/zinc/72/71/90/607727190.db2.gz ZHZBWUMDHBTLSP-UHFFFAOYSA-N -1 3 383.387 1.599 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1N1CCOCC1 ZINC000826449053 607727192 /nfs/dbraw/zinc/72/71/92/607727192.db2.gz ZHZBWUMDHBTLSP-UHFFFAOYSA-N -1 3 383.387 1.599 20 50 GDGDHM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000833802206 605622263 /nfs/dbraw/zinc/62/22/63/605622263.db2.gz PIDPRCBAABZPGJ-OAHLLOKOSA-N -1 3 375.473 1.737 20 50 GDGDHM O=C([O-])NCCCC(=O)NNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000834230537 605979743 /nfs/dbraw/zinc/97/97/43/605979743.db2.gz GSONHHAMPMRIAE-AWEZNQCLSA-N -1 3 380.420 1.233 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000823280975 606736609 /nfs/dbraw/zinc/73/66/09/606736609.db2.gz KDKCGCZGPJIUHK-CYBMUJFWSA-N -1 3 383.391 1.306 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000823280975 606736611 /nfs/dbraw/zinc/73/66/11/606736611.db2.gz KDKCGCZGPJIUHK-CYBMUJFWSA-N -1 3 383.391 1.306 20 50 GDGDHM CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)CCC(=O)N2C ZINC000823948471 607843434 /nfs/dbraw/zinc/84/34/34/607843434.db2.gz OGVAHTZVWPDNHJ-UHFFFAOYSA-N -1 3 389.419 1.930 20 50 GDGDHM CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCC(=O)N2C ZINC000823948471 607843435 /nfs/dbraw/zinc/84/34/35/607843435.db2.gz OGVAHTZVWPDNHJ-UHFFFAOYSA-N -1 3 389.419 1.930 20 50 GDGDHM CCc1c(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cnn1CC(C)C ZINC000825687571 607889282 /nfs/dbraw/zinc/88/92/82/607889282.db2.gz JJGSBJYNLOGNBN-UHFFFAOYSA-N -1 3 382.428 1.356 20 50 GDGDHM C[C@H](c1cccc(O)c1)N(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824773030 607924583 /nfs/dbraw/zinc/92/45/83/607924583.db2.gz XRUNXUZLVNNHKI-GFCCVEGCSA-N -1 3 395.423 1.026 20 50 GDGDHM C[C@H](c1cccc(O)c1)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824773030 607924584 /nfs/dbraw/zinc/92/45/84/607924584.db2.gz XRUNXUZLVNNHKI-GFCCVEGCSA-N -1 3 395.423 1.026 20 50 GDGDHM Cc1ccccc1N(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000826307628 607925634 /nfs/dbraw/zinc/92/56/34/607925634.db2.gz PXQJKLIVELKAFT-UHFFFAOYSA-N -1 3 393.451 1.851 20 50 GDGDHM Cc1ccccc1N(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000826307628 607925635 /nfs/dbraw/zinc/92/56/35/607925635.db2.gz PXQJKLIVELKAFT-UHFFFAOYSA-N -1 3 393.451 1.851 20 50 GDGDHM O=C(CN(CC1CC1)c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409932 607925715 /nfs/dbraw/zinc/92/57/15/607925715.db2.gz UZEQEIHURCONME-UHFFFAOYSA-N -1 3 391.435 1.544 20 50 GDGDHM O=C(CN(CC1CC1)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409932 607925716 /nfs/dbraw/zinc/92/57/16/607925716.db2.gz UZEQEIHURCONME-UHFFFAOYSA-N -1 3 391.435 1.544 20 50 GDGDHM O=C(CCCc1cc(F)ccc1F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 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C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000820752534 945550109 /nfs/dbraw/zinc/55/01/09/945550109.db2.gz OBNJLUKVHADIQN-UGSOOPFHSA-N -1 3 391.435 1.321 20 50 GDGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000820753568 945553807 /nfs/dbraw/zinc/55/38/07/945553807.db2.gz ZHTLOLPHJGTIKZ-GFCCVEGCSA-N -1 3 377.408 1.251 20 50 GDGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000820753568 945553822 /nfs/dbraw/zinc/55/38/22/945553822.db2.gz ZHTLOLPHJGTIKZ-GFCCVEGCSA-N -1 3 377.408 1.251 20 50 GDGDHM CC[C@@H](C)C[C@@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820870171 945578928 /nfs/dbraw/zinc/57/89/28/945578928.db2.gz OJAOFADKFQUBHW-VXGBXAGGSA-N -1 3 375.433 1.401 20 50 GDGDHM CC[C@@H](C)C[C@@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820870171 945578934 /nfs/dbraw/zinc/57/89/34/945578934.db2.gz OJAOFADKFQUBHW-VXGBXAGGSA-N -1 3 375.433 1.401 20 50 GDGDHM CCCNC(=O)CCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821113647 945637595 /nfs/dbraw/zinc/63/75/95/945637595.db2.gz BCQLGHVJGOGRPB-UHFFFAOYSA-N -1 3 385.350 1.635 20 50 GDGDHM CCCNC(=O)CCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821113647 945637600 /nfs/dbraw/zinc/63/76/00/945637600.db2.gz BCQLGHVJGOGRPB-UHFFFAOYSA-N -1 3 385.350 1.635 20 50 GDGDHM CN(C)c1cccc(C(=O)NNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821589233 945728096 /nfs/dbraw/zinc/72/80/96/945728096.db2.gz DJFWJCNQGIHWEV-UHFFFAOYSA-N -1 3 398.402 1.216 20 50 GDGDHM CN(C)c1cccc(C(=O)NNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821589233 945728102 /nfs/dbraw/zinc/72/81/02/945728102.db2.gz DJFWJCNQGIHWEV-UHFFFAOYSA-N -1 3 398.402 1.216 20 50 GDGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Cl)cc1 ZINC000821594022 945732201 /nfs/dbraw/zinc/73/22/01/945732201.db2.gz VFRTVSNKXNPYKI-UHFFFAOYSA-N -1 3 399.842 1.413 20 50 GDGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Cl)cc1 ZINC000821594022 945732208 /nfs/dbraw/zinc/73/22/08/945732208.db2.gz VFRTVSNKXNPYKI-UHFFFAOYSA-N -1 3 399.842 1.413 20 50 GDGDHM COC(=O)c1cc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)cn1C ZINC000821668080 945788814 /nfs/dbraw/zinc/78/88/14/945788814.db2.gz NNPGNPRZGHBBLV-LFYBBSHMSA-N -1 3 394.395 1.184 20 50 GDGDHM COC(=O)c1cc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cn1C ZINC000821668080 945788820 /nfs/dbraw/zinc/78/88/20/945788820.db2.gz NNPGNPRZGHBBLV-LFYBBSHMSA-N -1 3 394.395 1.184 20 50 GDGDHM CO[C@]1(C)C[C@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1(C)C ZINC000821678898 945798161 /nfs/dbraw/zinc/79/81/61/945798161.db2.gz UMMZAGNMBWOPOL-MCIHNUOMSA-N -1 3 383.456 1.740 20 50 GDGDHM CO[C@]1(C)C[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1(C)C ZINC000821678898 945798174 /nfs/dbraw/zinc/79/81/74/945798174.db2.gz UMMZAGNMBWOPOL-MCIHNUOMSA-N -1 3 383.456 1.740 20 50 GDGDHM COc1ccc2c(c1)OCC2=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821854728 945885934 /nfs/dbraw/zinc/88/59/34/945885934.db2.gz SVOHWUBDICVCQJ-UHFFFAOYSA-N -1 3 380.364 1.167 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)[C@H](C)C(=O)OC(C)C)cc(-c2nnn[n-]2)n1C ZINC000822020576 945922175 /nfs/dbraw/zinc/92/21/75/945922175.db2.gz FHWSJBQADWLKLS-AISSWFOISA-N -1 3 385.428 1.219 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)[C@H](C)C(=O)OC(C)C)cc(-c2nn[n-]n2)n1C ZINC000822020576 945922183 /nfs/dbraw/zinc/92/21/83/945922183.db2.gz FHWSJBQADWLKLS-AISSWFOISA-N -1 3 385.428 1.219 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCc3[nH]ccc32)cc(-c2nnn[n-]2)n1C ZINC000822028752 945947152 /nfs/dbraw/zinc/94/71/52/945947152.db2.gz RZGQRBBGNDZGHS-LPDYGMJQSA-N -1 3 376.424 1.943 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCc3[nH]ccc32)cc(-c2nn[n-]n2)n1C ZINC000822028752 945947162 /nfs/dbraw/zinc/94/71/62/945947162.db2.gz RZGQRBBGNDZGHS-LPDYGMJQSA-N -1 3 376.424 1.943 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)O[C@H]2Cc3ccccc3C2=O)cc(-c2nnn[n-]2)n1C ZINC000822028806 945948357 /nfs/dbraw/zinc/94/83/57/945948357.db2.gz SIBHJWVLKQDULQ-ROOCWEIGSA-N -1 3 388.387 1.771 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)O[C@H]2Cc3ccccc3C2=O)cc(-c2nn[n-]n2)n1C ZINC000822028806 945948362 /nfs/dbraw/zinc/94/83/62/945948362.db2.gz SIBHJWVLKQDULQ-ROOCWEIGSA-N -1 3 388.387 1.771 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2cccc(F)c2)cc(-c2nnn[n-]2)n1C ZINC000822029067 945951675 /nfs/dbraw/zinc/95/16/75/945951675.db2.gz UZTJGZMICSEUTK-ZRBJYGNNSA-N -1 3 395.398 1.410 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2cccc(F)c2)cc(-c2nn[n-]n2)n1C ZINC000822029067 945951681 /nfs/dbraw/zinc/95/16/81/945951681.db2.gz UZTJGZMICSEUTK-ZRBJYGNNSA-N -1 3 395.398 1.410 20 50 GDGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000822288800 946044407 /nfs/dbraw/zinc/04/44/07/946044407.db2.gz JQCIFKYQNXAIBB-UHFFFAOYSA-N -1 3 394.391 1.102 20 50 GDGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000822288800 946044418 /nfs/dbraw/zinc/04/44/18/946044418.db2.gz JQCIFKYQNXAIBB-UHFFFAOYSA-N -1 3 394.391 1.102 20 50 GDGDHM Cc1ccccc1CC(=O)NNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822356601 946067520 /nfs/dbraw/zinc/06/75/20/946067520.db2.gz VLPSIRIHFANGHB-ZDUSSCGKSA-N -1 3 379.424 1.809 20 50 GDGDHM Cc1ccccc1CC(=O)NNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822356601 946067530 /nfs/dbraw/zinc/06/75/30/946067530.db2.gz VLPSIRIHFANGHB-ZDUSSCGKSA-N -1 3 379.424 1.809 20 50 GDGDHM Cc1csc([C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C2CC2)n1 ZINC000822410214 946082970 /nfs/dbraw/zinc/08/29/70/946082970.db2.gz ZUXZOKWQQVXROV-ZDUSSCGKSA-N -1 3 398.452 1.727 20 50 GDGDHM Cc1csc([C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C2CC2)n1 ZINC000822410214 946082984 /nfs/dbraw/zinc/08/29/84/946082984.db2.gz ZUXZOKWQQVXROV-ZDUSSCGKSA-N -1 3 398.452 1.727 20 50 GDGDHM Cc1nc(Cl)cc(NNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822449473 946093149 /nfs/dbraw/zinc/09/31/49/946093149.db2.gz AYDIYHABFOVQKL-CYBMUJFWSA-N -1 3 399.846 1.731 20 50 GDGDHM Cc1nc(NC2CC2)sc1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822454113 946093876 /nfs/dbraw/zinc/09/38/76/946093876.db2.gz TYADAYDRVRCMMX-UHFFFAOYSA-N 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ZINC000823104522 946311333 /nfs/dbraw/zinc/31/13/33/946311333.db2.gz YLMVSLRGLNYKMU-UHFFFAOYSA-N -1 3 386.415 1.953 20 50 GDGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)Cc1cccc2ccccc21 ZINC000823104522 946311345 /nfs/dbraw/zinc/31/13/45/946311345.db2.gz YLMVSLRGLNYKMU-UHFFFAOYSA-N -1 3 386.415 1.953 20 50 GDGDHM O=C(NNC(=O)C1CC(OCc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823273376 946378360 /nfs/dbraw/zinc/37/83/60/946378360.db2.gz LDTAIELRXGBMFT-UHFFFAOYSA-N -1 3 392.419 1.623 20 50 GDGDHM O=C(NNC(=O)C1CC(OCc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273376 946378370 /nfs/dbraw/zinc/37/83/70/946378370.db2.gz LDTAIELRXGBMFT-UHFFFAOYSA-N -1 3 392.419 1.623 20 50 GDGDHM O=C(NNC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000823273623 946385198 /nfs/dbraw/zinc/38/51/98/946385198.db2.gz SFAHFRMMRNBOKC-UTKZUKDTSA-N -1 3 388.431 1.922 20 50 GDGDHM O=C(NNC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000823273623 946385211 /nfs/dbraw/zinc/38/52/11/946385211.db2.gz SFAHFRMMRNBOKC-UTKZUKDTSA-N -1 3 388.431 1.922 20 50 GDGDHM O=C(NNC(=O)N1CCc2ccc(F)cc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823276977 946390694 /nfs/dbraw/zinc/39/06/94/946390694.db2.gz ANMLZGSPBRZDQO-UHFFFAOYSA-N -1 3 381.371 1.419 20 50 GDGDHM O=C(NNC(=O)N1CCc2ccc(F)cc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823276977 946390705 /nfs/dbraw/zinc/39/07/05/946390705.db2.gz ANMLZGSPBRZDQO-UHFFFAOYSA-N -1 3 381.371 1.419 20 50 GDGDHM O=C(NNC(=O)N(CCC(F)(F)F)CC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823273810 946392434 /nfs/dbraw/zinc/39/24/34/946392434.db2.gz YZUVFWWBBRTLHV-UHFFFAOYSA-N -1 3 397.361 1.886 20 50 GDGDHM O=C(NNC(=O)N(CCC(F)(F)F)CC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273810 946392444 /nfs/dbraw/zinc/39/24/44/946392444.db2.gz YZUVFWWBBRTLHV-UHFFFAOYSA-N -1 3 397.361 1.886 20 50 GDGDHM O=C(NNC(=O)N1CCOC2(CCCCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277314 946398650 /nfs/dbraw/zinc/39/86/50/946398650.db2.gz KCJYCZGFTHHVMO-UHFFFAOYSA-N -1 3 385.428 1.256 20 50 GDGDHM 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CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C12CCCC2 ZINC000821359563 945679200 /nfs/dbraw/zinc/67/92/00/945679200.db2.gz OCLLMVCPHXUFFG-CABCVRRESA-N -1 3 399.455 1.549 20 50 GDGDHM CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C12CCCC2 ZINC000821359563 945679202 /nfs/dbraw/zinc/67/92/02/945679202.db2.gz OCLLMVCPHXUFFG-CABCVRRESA-N -1 3 399.455 1.549 20 50 GDGDHM CCS[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821454245 945697434 /nfs/dbraw/zinc/69/74/34/945697434.db2.gz FCEBTWDNKXVCKD-KBPBESRZSA-N -1 3 389.485 1.875 20 50 GDGDHM CCS[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821454245 945697438 /nfs/dbraw/zinc/69/74/38/945697438.db2.gz FCEBTWDNKXVCKD-KBPBESRZSA-N -1 3 389.485 1.875 20 50 GDGDHM CCS[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821455434 945700924 /nfs/dbraw/zinc/70/09/24/945700924.db2.gz KHAYKATZTNDFSF-UONOGXRCSA-N -1 3 389.485 1.875 20 50 GDGDHM CCS[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821455434 945700932 /nfs/dbraw/zinc/70/09/32/945700932.db2.gz KHAYKATZTNDFSF-UONOGXRCSA-N -1 3 389.485 1.875 20 50 GDGDHM CCc1cnc(CCNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)s1 ZINC000821497251 945709746 /nfs/dbraw/zinc/70/97/46/945709746.db2.gz RIWVGDRKPCMFDC-QPEQYQDCSA-N -1 3 396.480 1.798 20 50 GDGDHM CCc1cnc(CCNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)s1 ZINC000821497251 945709759 /nfs/dbraw/zinc/70/97/59/945709759.db2.gz RIWVGDRKPCMFDC-QPEQYQDCSA-N -1 3 396.480 1.798 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)c1cc2ccccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645062 945769648 /nfs/dbraw/zinc/76/96/48/945769648.db2.gz QDCNNLKNFOFANF-INIZCTEOSA-N -1 3 392.375 1.762 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)c1cc2ccccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645062 945769657 /nfs/dbraw/zinc/76/96/57/945769657.db2.gz QDCNNLKNFOFANF-INIZCTEOSA-N -1 3 392.375 1.762 20 50 GDGDHM COCCOc1ccccc1C=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821693675 945827371 /nfs/dbraw/zinc/82/73/71/945827371.db2.gz IYLJHFRGOWOSEG-UHFFFAOYSA-N -1 3 396.407 1.421 20 50 GDGDHM COCCOc1ccccc1C=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821693675 945827383 /nfs/dbraw/zinc/82/73/83/945827383.db2.gz IYLJHFRGOWOSEG-UHFFFAOYSA-N -1 3 396.407 1.421 20 50 GDGDHM COc1ccc(C(C)(C)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821772650 945858672 /nfs/dbraw/zinc/85/86/72/945858672.db2.gz JWMGOBAIZFKDAW-UHFFFAOYSA-N -1 3 380.408 1.614 20 50 GDGDHM COc1ccc(C(C)(C)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821772650 945858689 /nfs/dbraw/zinc/85/86/89/945858689.db2.gz JWMGOBAIZFKDAW-UHFFFAOYSA-N -1 3 380.408 1.614 20 50 GDGDHM COc1ccc(NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000821832051 945878579 /nfs/dbraw/zinc/87/85/79/945878579.db2.gz XSONSLSNOHVCPG-UHFFFAOYSA-N -1 3 383.368 1.107 20 50 GDGDHM COc1ccc(NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000821832051 945878596 /nfs/dbraw/zinc/87/85/96/945878596.db2.gz XSONSLSNOHVCPG-UHFFFAOYSA-N -1 3 383.368 1.107 20 50 GDGDHM COc1ccc(NNC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000821834985 945879283 /nfs/dbraw/zinc/87/92/83/945879283.db2.gz ABCVECUXUXSNTQ-JTQLQIEISA-N -1 3 399.367 1.694 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCc3ccc(O)cc3C2)cc(-c2nn[n-]n2)n1C ZINC000822028478 945943302 /nfs/dbraw/zinc/94/33/02/945943302.db2.gz ONGPPHIHLOEARY-VIZOYTHASA-N -1 3 389.419 1.711 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](OCC(C)C)C2)cc(-c2nnn[n-]2)n1C ZINC000822028523 945944888 /nfs/dbraw/zinc/94/48/88/945944888.db2.gz OXAVMSMKWDVGRZ-NHKNYXOTSA-N -1 3 383.456 1.694 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](OCC(C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000822028523 945944896 /nfs/dbraw/zinc/94/48/96/945944896.db2.gz OXAVMSMKWDVGRZ-NHKNYXOTSA-N -1 3 383.456 1.694 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCOCc2ccccc2)cc(-c2nnn[n-]2)n1C ZINC000822028741 945946660 /nfs/dbraw/zinc/94/66/60/945946660.db2.gz RRVSYJGLZGTTBB-LICLKQGHSA-N -1 3 391.435 1.754 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCOCc2ccccc2)cc(-c2nn[n-]n2)n1C ZINC000822028741 945946670 /nfs/dbraw/zinc/94/66/70/945946670.db2.gz RRVSYJGLZGTTBB-LICLKQGHSA-N -1 3 391.435 1.754 20 50 GDGDHM Cc1ccc2c(c1)N(CC(=O)NNC(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000822280392 946043193 /nfs/dbraw/zinc/04/31/93/946043193.db2.gz MDWBUELHWVBQGL-UHFFFAOYSA-N -1 3 391.435 1.389 20 50 GDGDHM Cc1ccc2c(c1)N(CC(=O)NNC(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000822280392 946043207 /nfs/dbraw/zinc/04/32/07/946043207.db2.gz MDWBUELHWVBQGL-UHFFFAOYSA-N -1 3 391.435 1.389 20 50 GDGDHM Cc1cnc([C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000822388986 946077950 /nfs/dbraw/zinc/07/79/50/946077950.db2.gz IAOSEQQRGYKHJG-ZDUSSCGKSA-N -1 3 398.452 1.727 20 50 GDGDHM Cc1cnc([C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000822388986 946077956 /nfs/dbraw/zinc/07/79/56/946077956.db2.gz IAOSEQQRGYKHJG-ZDUSSCGKSA-N -1 3 398.452 1.727 20 50 GDGDHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NNc1ccncc1Cl ZINC000822541242 946117554 /nfs/dbraw/zinc/11/75/54/946117554.db2.gz LXNJLRNQMINTFO-UHFFFAOYSA-N -1 3 384.787 1.786 20 50 GDGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)Cc1ccc2ccccc2c1 ZINC000822645549 946142238 /nfs/dbraw/zinc/14/22/38/946142238.db2.gz CTDFSJZTKDAXEZ-UHFFFAOYSA-N -1 3 375.392 1.362 20 50 GDGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)Cc1ccc2ccccc2c1 ZINC000822645549 946142244 /nfs/dbraw/zinc/14/22/44/946142244.db2.gz CTDFSJZTKDAXEZ-UHFFFAOYSA-N -1 3 375.392 1.362 20 50 GDGDHM N#Cc1ccc2[nH]cc(C=NNC(=O)COc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000822832958 946199265 /nfs/dbraw/zinc/19/92/65/946199265.db2.gz KJSRHLQGTUYQQN-UHFFFAOYSA-N -1 3 386.375 1.749 20 50 GDGDHM O=C(CCc1nc(C2CCCC2)no1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822987545 946248742 /nfs/dbraw/zinc/24/87/42/946248742.db2.gz ZBLMFOLUBSQHFW-UHFFFAOYSA-N -1 3 396.411 1.301 20 50 GDGDHM O=C(CCc1nc(C2CCCC2)no1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822987545 946248754 /nfs/dbraw/zinc/24/87/54/946248754.db2.gz ZBLMFOLUBSQHFW-UHFFFAOYSA-N -1 3 396.411 1.301 20 50 GDGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)c1cccc(OC(F)F)c1 ZINC000823103246 946310152 /nfs/dbraw/zinc/31/01/52/946310152.db2.gz BKXPPJIRQOLCST-UHFFFAOYSA-N -1 3 388.334 1.472 20 50 GDGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)c1cccc(OC(F)F)c1 ZINC000823103246 946310164 /nfs/dbraw/zinc/31/01/64/946310164.db2.gz BKXPPJIRQOLCST-UHFFFAOYSA-N -1 3 388.334 1.472 20 50 GDGDHM O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823170567 946332958 /nfs/dbraw/zinc/33/29/58/946332958.db2.gz FAUWCKHAMGFVPV-BBWFWOEESA-N -1 3 389.419 1.397 20 50 GDGDHM O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823170567 946332969 /nfs/dbraw/zinc/33/29/69/946332969.db2.gz FAUWCKHAMGFVPV-BBWFWOEESA-N -1 3 389.419 1.397 20 50 GDGDHM O=C(NNC(=O)[C@@H]1SCCc2sccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000823273528 946381506 /nfs/dbraw/zinc/38/15/06/946381506.db2.gz QHZBCJGVPQTWSN-CYBMUJFWSA-N -1 3 386.462 1.720 20 50 GDGDHM O=C(NNC(=O)[C@@H]1SCCc2sccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000823273528 946381511 /nfs/dbraw/zinc/38/15/11/946381511.db2.gz QHZBCJGVPQTWSN-CYBMUJFWSA-N -1 3 386.462 1.720 20 50 GDGDHM O=C(NNC(=O)c1cccc(Br)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823277524 946404101 /nfs/dbraw/zinc/40/41/01/946404101.db2.gz ONADBLPZBQHISK-UHFFFAOYSA-N -1 3 376.174 1.032 20 50 GDGDHM O=C(NNC(=O)c1cccc(Br)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823277524 946404111 /nfs/dbraw/zinc/40/41/11/946404111.db2.gz ONADBLPZBQHISK-UHFFFAOYSA-N -1 3 376.174 1.032 20 50 GDGDHM CC(C)C(=O)NNC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824184972 946613283 /nfs/dbraw/zinc/61/32/83/946613283.db2.gz PDVKFVMERDRLTJ-UHFFFAOYSA-N -1 3 389.807 1.515 20 50 GDGDHM C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824400293 946680454 /nfs/dbraw/zinc/68/04/54/946680454.db2.gz DPSHRNUPJKNBGJ-LLVKDONJSA-N -1 3 390.448 1.796 20 50 GDGDHM C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824400293 946680459 /nfs/dbraw/zinc/68/04/59/946680459.db2.gz DPSHRNUPJKNBGJ-LLVKDONJSA-N -1 3 390.448 1.796 20 50 GDGDHM COCC[C@H](Cc1ccco1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826154177 947486029 /nfs/dbraw/zinc/48/60/29/947486029.db2.gz JTJIRNQVKCDDNH-CQSZACIVSA-N -1 3 399.411 1.052 20 50 GDGDHM COCC[C@H](Cc1ccco1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826154177 947486039 /nfs/dbraw/zinc/48/60/39/947486039.db2.gz JTJIRNQVKCDDNH-CQSZACIVSA-N -1 3 399.411 1.052 20 50 GDGDHM O=C(NNC(=O)N1Cc2ccccc2C(F)(F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277575 607337979 /nfs/dbraw/zinc/33/79/79/607337979.db2.gz QTFPPYXUQHQRMC-UHFFFAOYSA-N -1 3 399.361 1.829 20 50 GDGDHM O=C(NNC(=O)N1Cc2ccccc2C(F)(F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277575 607337980 /nfs/dbraw/zinc/33/79/80/607337980.db2.gz QTFPPYXUQHQRMC-UHFFFAOYSA-N -1 3 399.361 1.829 20 50 GDGDHM CCCCC(=O)N1CSC[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825261420 607340388 /nfs/dbraw/zinc/34/03/88/607340388.db2.gz YWFYYGSUKBVYEB-CYBMUJFWSA-N -1 3 375.458 1.402 20 50 GDGDHM Cc1nc(COc2ccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2)no1 ZINC000826326634 607343591 /nfs/dbraw/zinc/34/35/91/607343591.db2.gz XYLPYQCVVDKSKS-UHFFFAOYSA-N -1 3 392.379 1.894 20 50 GDGDHM CC(=O)CCc1ccc(OCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823968227 607345164 /nfs/dbraw/zinc/34/51/64/607345164.db2.gz XRYUCZQRJDPTLL-UHFFFAOYSA-N -1 3 380.408 1.910 20 50 GDGDHM CS(=O)(=O)Nc1ccc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826223644 607352671 /nfs/dbraw/zinc/35/26/71/607352671.db2.gz UWWNGLIJKSXEAR-NYYWCZLTSA-N -1 3 399.436 1.395 20 50 GDGDHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825050927 607354033 /nfs/dbraw/zinc/35/40/33/607354033.db2.gz LRWVWKKGLGVMNA-GXFFZTMASA-N -1 3 375.458 1.257 20 50 GDGDHM O=C(CSCC(=O)N1CCCCC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826419750 607354438 /nfs/dbraw/zinc/35/44/38/607354438.db2.gz KRVIWZDGUAXEFT-UHFFFAOYSA-N -1 3 375.458 1.056 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000826446228 607356759 /nfs/dbraw/zinc/35/67/59/607356759.db2.gz DVSQYHNEGHCAGJ-AWEZNQCLSA-N -1 3 381.396 1.598 20 50 GDGDHM O=C(NNC(=O)N1CC[C@H](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277657 599429060 /nfs/dbraw/zinc/42/90/60/599429060.db2.gz UICSISVXPGFTKP-OAHLLOKOSA-N -1 3 391.435 1.786 20 50 GDGDHM O=C(NNC(=O)N1CC[C@H](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277657 599429063 /nfs/dbraw/zinc/42/90/63/599429063.db2.gz UICSISVXPGFTKP-OAHLLOKOSA-N -1 3 391.435 1.786 20 50 GDGDHM Cn1cc(C=CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000826359944 607394894 /nfs/dbraw/zinc/39/48/94/607394894.db2.gz TXGWGCXVGWEGNF-GORDUTHDSA-N -1 3 378.318 1.776 20 50 GDGDHM Cn1cc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000826359944 607394896 /nfs/dbraw/zinc/39/48/96/607394896.db2.gz TXGWGCXVGWEGNF-GORDUTHDSA-N -1 3 378.318 1.776 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc(-c2nnn[n-]2)n1C ZINC000826235310 607431609 /nfs/dbraw/zinc/43/16/09/607431609.db2.gz HHHAEUTVPGGBFJ-OVBPEUAZSA-N -1 3 395.467 1.696 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc(-c2nn[n-]n2)n1C ZINC000826235310 607431610 /nfs/dbraw/zinc/43/16/10/607431610.db2.gz HHHAEUTVPGGBFJ-OVBPEUAZSA-N -1 3 395.467 1.696 20 50 GDGDHM O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826420789 607683422 /nfs/dbraw/zinc/68/34/22/607683422.db2.gz CBEOFECYIBDYES-UHFFFAOYSA-N -1 3 377.817 1.402 20 50 GDGDHM O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826420789 607683424 /nfs/dbraw/zinc/68/34/24/607683424.db2.gz CBEOFECYIBDYES-UHFFFAOYSA-N -1 3 377.817 1.402 20 50 GDGDHM C=CCN1C(=O)c2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2C1=O ZINC000823919515 607711384 /nfs/dbraw/zinc/71/13/84/607711384.db2.gz JPNURNCDYWBQTE-UHFFFAOYSA-N -1 3 389.375 1.406 20 50 GDGDHM C=CCN1C(=O)c2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2C1=O ZINC000823919515 607711386 /nfs/dbraw/zinc/71/13/86/607711386.db2.gz JPNURNCDYWBQTE-UHFFFAOYSA-N -1 3 389.375 1.406 20 50 GDGDHM CC(=O)N[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000823988699 607718546 /nfs/dbraw/zinc/71/85/46/607718546.db2.gz IGBPRWFNDOLRBW-QGZVFWFLSA-N -1 3 379.424 1.886 20 50 GDGDHM CC(=O)N[C@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000823988699 607718548 /nfs/dbraw/zinc/71/85/48/607718548.db2.gz IGBPRWFNDOLRBW-QGZVFWFLSA-N -1 3 379.424 1.886 20 50 GDGDHM Cc1nc(CN2CCC(C(=O)NNc3cccc(-c4nn[n-]n4)c3)CC2)cs1 ZINC000826325877 607719352 /nfs/dbraw/zinc/71/93/52/607719352.db2.gz PLAOXYQDBVAQIT-UHFFFAOYSA-N -1 3 398.496 1.987 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000826448830 607721634 /nfs/dbraw/zinc/72/16/34/607721634.db2.gz NUIVMMGSKUSOEG-UHFFFAOYSA-N -1 3 383.324 1.303 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000826448830 607721637 /nfs/dbraw/zinc/72/16/37/607721637.db2.gz NUIVMMGSKUSOEG-UHFFFAOYSA-N -1 3 383.324 1.303 20 50 GDGDHM C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824522030 607727840 /nfs/dbraw/zinc/72/78/40/607727840.db2.gz PJPOIYQCXJTMLF-JTQLQIEISA-N -1 3 385.815 1.782 20 50 GDGDHM C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824522030 607727842 /nfs/dbraw/zinc/72/78/42/607727842.db2.gz PJPOIYQCXJTMLF-JTQLQIEISA-N -1 3 385.815 1.782 20 50 GDGDHM CC(C)C(=O)Nc1nc(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824184669 607728855 /nfs/dbraw/zinc/72/88/55/607728855.db2.gz IGQDAFSHFBYJLU-UHFFFAOYSA-N -1 3 386.441 1.604 20 50 GDGDHM CC(C)C(=O)Nc1nc(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824184669 607728857 /nfs/dbraw/zinc/72/88/57/607728857.db2.gz IGQDAFSHFBYJLU-UHFFFAOYSA-N -1 3 386.441 1.604 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000823280708 607220091 /nfs/dbraw/zinc/22/00/91/607220091.db2.gz FHNFZOSETYUWSB-XJKSGUPXSA-N -1 3 375.458 1.548 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000823280708 607220092 /nfs/dbraw/zinc/22/00/92/607220092.db2.gz FHNFZOSETYUWSB-XJKSGUPXSA-N -1 3 375.458 1.548 20 50 GDGDHM CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825201552 607782179 /nfs/dbraw/zinc/78/21/79/607782179.db2.gz GKBWXGXUMMEADQ-WBMJQRKESA-N -1 3 398.471 1.530 20 50 GDGDHM CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825201552 607782180 /nfs/dbraw/zinc/78/21/80/607782180.db2.gz GKBWXGXUMMEADQ-WBMJQRKESA-N -1 3 398.471 1.530 20 50 GDGDHM CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C(C)C ZINC000824010360 607805871 /nfs/dbraw/zinc/80/58/71/607805871.db2.gz KJEBNKULZRVHKG-UHFFFAOYSA-N -1 3 395.423 1.904 20 50 GDGDHM CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C(C)C ZINC000824010360 607805872 /nfs/dbraw/zinc/80/58/72/607805872.db2.gz KJEBNKULZRVHKG-UHFFFAOYSA-N -1 3 395.423 1.904 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](C3CCOCC3)C2)cc(-c2nnn[n-]2)n1C ZINC000826235305 607862222 /nfs/dbraw/zinc/86/22/22/607862222.db2.gz HGKHBPPFZIOUSB-ZUZCKIMGSA-N -1 3 395.467 1.696 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](C3CCOCC3)C2)cc(-c2nn[n-]n2)n1C ZINC000826235305 607862223 /nfs/dbraw/zinc/86/22/23/607862223.db2.gz HGKHBPPFZIOUSB-ZUZCKIMGSA-N -1 3 395.467 1.696 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826417106 607880060 /nfs/dbraw/zinc/88/00/60/607880060.db2.gz DOTBAELMYUCGIS-CWRNSKLLSA-N -1 3 398.467 1.999 20 50 GDGDHM CCCn1nc(C)c(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825361037 607881747 /nfs/dbraw/zinc/88/17/47/607881747.db2.gz AEEHSWBVQIJOIX-UHFFFAOYSA-N -1 3 382.428 1.619 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)c2ccc3c(c2)OCO3)cc(-c2nnn[n-]2)n1C ZINC000826235356 607916819 /nfs/dbraw/zinc/91/68/19/607916819.db2.gz IGHAYJLLJHSGOF-AWNIVKPZSA-N -1 3 391.391 1.812 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)c2ccc3c(c2)OCO3)cc(-c2nn[n-]n2)n1C ZINC000826235356 607916820 /nfs/dbraw/zinc/91/68/20/607916820.db2.gz IGHAYJLLJHSGOF-AWNIVKPZSA-N -1 3 391.391 1.812 20 50 GDGDHM C[C@H](c1ccc(F)cc1)N(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824763522 607920489 /nfs/dbraw/zinc/92/04/89/607920489.db2.gz NFVRAOAWUZBJCB-GFCCVEGCSA-N -1 3 397.414 1.460 20 50 GDGDHM C[C@H](c1ccc(F)cc1)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824763522 607920490 /nfs/dbraw/zinc/92/04/90/607920490.db2.gz NFVRAOAWUZBJCB-GFCCVEGCSA-N -1 3 397.414 1.460 20 50 GDGDHM O=C(CN1CCCc2cc(F)ccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411387 607924973 /nfs/dbraw/zinc/92/49/73/607924973.db2.gz WPLCHOHGCZGIPN-UHFFFAOYSA-N -1 3 395.398 1.220 20 50 GDGDHM O=C(CN1CCCc2cc(F)ccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411387 607924974 /nfs/dbraw/zinc/92/49/74/607924974.db2.gz WPLCHOHGCZGIPN-UHFFFAOYSA-N -1 3 395.398 1.220 20 50 GDGDHM O=C(NNc1ncc(F)cn1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826449773 608038507 /nfs/dbraw/zinc/03/85/07/608038507.db2.gz JEJUNSKIQRVYDG-UHFFFAOYSA-N -1 3 396.342 1.725 20 50 GDGDHM O=C(NNc1ncc(F)cn1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826449773 608038508 /nfs/dbraw/zinc/03/85/08/608038508.db2.gz JEJUNSKIQRVYDG-UHFFFAOYSA-N -1 3 396.342 1.725 20 50 GDGDHM CCc1csc(-n2cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cn2)n1 ZINC000825740647 608107489 /nfs/dbraw/zinc/10/74/89/608107489.db2.gz XHBWRVGZMORVNF-UHFFFAOYSA-N -1 3 381.425 1.828 20 50 GDGDHM CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000824113801 608110879 /nfs/dbraw/zinc/11/08/79/608110879.db2.gz DPPOWVHJGXQFQL-UHFFFAOYSA-N -1 3 379.446 1.683 20 50 GDGDHM CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000824113801 608110880 /nfs/dbraw/zinc/11/08/80/608110880.db2.gz DPPOWVHJGXQFQL-UHFFFAOYSA-N -1 3 379.446 1.683 20 50 GDGDHM Cc1ccsc1[C@H](CO)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826315251 608188232 /nfs/dbraw/zinc/18/82/32/608188232.db2.gz DISNJOQDJWQZQO-XMRSSTEGSA-N -1 3 397.464 1.640 20 50 GDGDHM Cc1ccsc1[C@H](CO)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826315251 608188233 /nfs/dbraw/zinc/18/82/33/608188233.db2.gz DISNJOQDJWQZQO-XMRSSTEGSA-N -1 3 397.464 1.640 20 50 GDGDHM O=C(NNC(=O)c1cccc([C@@H]2CCCOC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826445154 608305514 /nfs/dbraw/zinc/30/55/14/608305514.db2.gz IYTUHJYEINOOEF-QGZVFWFLSA-N -1 3 392.419 1.836 20 50 GDGDHM O=C(NNC(=O)c1cccc([C@@H]2CCCOC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826445154 608305516 /nfs/dbraw/zinc/30/55/16/608305516.db2.gz IYTUHJYEINOOEF-QGZVFWFLSA-N -1 3 392.419 1.836 20 50 GDGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1F ZINC000824500438 608310287 /nfs/dbraw/zinc/31/02/87/608310287.db2.gz WQCSBBHFNNUVSQ-VIFPVBQESA-N -1 3 387.350 1.850 20 50 GDGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC000824500438 608310288 /nfs/dbraw/zinc/31/02/88/608310288.db2.gz WQCSBBHFNNUVSQ-VIFPVBQESA-N -1 3 387.350 1.850 20 50 GDGDHM O=C(NNC(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444616 608321274 /nfs/dbraw/zinc/32/12/74/608321274.db2.gz NMZZETNONATFFM-KGLIPLIRSA-N -1 3 399.455 1.360 20 50 GDGDHM O=C(NNC(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444616 608321276 /nfs/dbraw/zinc/32/12/76/608321276.db2.gz NMZZETNONATFFM-KGLIPLIRSA-N -1 3 399.455 1.360 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc(-c2nnn[n-]2)n1C ZINC000826235813 608323743 /nfs/dbraw/zinc/32/37/43/608323743.db2.gz RWFCCRFOZQJBOK-KEQVLUGWSA-N -1 3 397.439 1.223 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc(-c2nn[n-]n2)n1C ZINC000826235813 608323744 /nfs/dbraw/zinc/32/37/44/608323744.db2.gz RWFCCRFOZQJBOK-KEQVLUGWSA-N -1 3 397.439 1.223 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2COC3(CCCC3)O2)cc(-c2nnn[n-]2)n1C ZINC000826235812 608324105 /nfs/dbraw/zinc/32/41/05/608324105.db2.gz RWFCCRFOZQJBOK-GSHXUFRSSA-N -1 3 397.439 1.223 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2COC3(CCCC3)O2)cc(-c2nn[n-]n2)n1C ZINC000826235812 608324106 /nfs/dbraw/zinc/32/41/06/608324106.db2.gz RWFCCRFOZQJBOK-GSHXUFRSSA-N -1 3 397.439 1.223 20 50 GDGDHM Cn1ncc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1-c1ccccc1 ZINC000826365890 608546660 /nfs/dbraw/zinc/54/66/60/608546660.db2.gz IQQAPAUKMFNRFN-UHFFFAOYSA-N -1 3 388.391 1.342 20 50 GDGDHM CC[C@@H](c1ccncc1)N(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825158822 608803381 /nfs/dbraw/zinc/80/33/81/608803381.db2.gz BGDAUKQQEAXDJV-INIZCTEOSA-N -1 3 394.439 1.106 20 50 GDGDHM CC[C@@H](c1ccncc1)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825158822 608803383 /nfs/dbraw/zinc/80/33/83/608803383.db2.gz BGDAUKQQEAXDJV-INIZCTEOSA-N -1 3 394.439 1.106 20 50 GDGDHM O=C(NNc1cnccn1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000826449831 608807393 /nfs/dbraw/zinc/80/73/93/608807393.db2.gz LEROOCCAPQPFJR-UHFFFAOYSA-N -1 3 390.367 1.993 20 50 GDGDHM O=C(NNc1cnccn1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826449831 608807396 /nfs/dbraw/zinc/80/73/96/608807396.db2.gz LEROOCCAPQPFJR-UHFFFAOYSA-N -1 3 390.367 1.993 20 50 GDGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1S(C)(=O)=O ZINC000826291168 608817807 /nfs/dbraw/zinc/81/78/07/608817807.db2.gz SJYBVXGAZSWPOP-UHFFFAOYSA-N -1 3 387.425 1.727 20 50 GDGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1S(C)(=O)=O ZINC000826291168 608817809 /nfs/dbraw/zinc/81/78/09/608817809.db2.gz SJYBVXGAZSWPOP-UHFFFAOYSA-N -1 3 387.425 1.727 20 50 GDGDHM Cc1cc(C(=O)NNc2cc(C)ncn2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826271493 609155782 /nfs/dbraw/zinc/15/57/82/609155782.db2.gz UKUQHFOHTPNYDA-UHFFFAOYSA-N -1 3 376.384 1.216 20 50 GDGDHM Cc1cc(C(=O)NNc2cc(C)ncn2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826271493 609155783 /nfs/dbraw/zinc/15/57/83/609155783.db2.gz UKUQHFOHTPNYDA-UHFFFAOYSA-N -1 3 376.384 1.216 20 50 GDGDHM CC(C)C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824235004 609184779 /nfs/dbraw/zinc/18/47/79/609184779.db2.gz AIIWGDOFJVGDHP-CABCVRRESA-N -1 3 387.444 1.404 20 50 GDGDHM CC(C)C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824235004 609184781 /nfs/dbraw/zinc/18/47/81/609184781.db2.gz AIIWGDOFJVGDHP-CABCVRRESA-N -1 3 387.444 1.404 20 50 GDGDHM CC(C)CNC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000824266558 609302011 /nfs/dbraw/zinc/30/20/11/609302011.db2.gz NAZWGCPNVGGTGO-OVCLIPMQSA-N -1 3 376.424 1.946 20 50 GDGDHM CC(C)CNC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000824266558 609302014 /nfs/dbraw/zinc/30/20/14/609302014.db2.gz NAZWGCPNVGGTGO-OVCLIPMQSA-N -1 3 376.424 1.946 20 50 GDGDHM COc1ccc2[nH]c(=NNC(=O)c3cc(-c4nnn[n-]4)cn3C)c(C)cc2c1 ZINC000826213642 609400970 /nfs/dbraw/zinc/40/09/70/609400970.db2.gz FQYKBYMGYMBJIL-UHFFFAOYSA-N -1 3 378.396 1.827 20 50 GDGDHM COc1ccc2[nH]c(=NNC(=O)c3cc(-c4nn[n-]n4)cn3C)c(C)cc2c1 ZINC000826213642 609400972 /nfs/dbraw/zinc/40/09/72/609400972.db2.gz FQYKBYMGYMBJIL-UHFFFAOYSA-N -1 3 378.396 1.827 20 50 GDGDHM Cc1nc2n(c1C)CCN(C(=O)C(C#N)=Cc1cc(-c3nn[n-]n3)n(C)c1C)C2 ZINC000737490884 945082474 /nfs/dbraw/zinc/08/24/74/945082474.db2.gz YWNIWZOJYLXXMX-VIZOYTHASA-N -1 3 391.439 1.276 20 50 GDGDHM Cc1nn(C)c2nc(Cl)c(C=NNC(=O)c3cccc(-c4nnn[n-]4)c3)cc12 ZINC000737511433 945087737 /nfs/dbraw/zinc/08/77/37/945087737.db2.gz NKXWZWSCRXEJTJ-UHFFFAOYSA-N -1 3 395.814 1.874 20 50 GDGDHM Cc1nn(C)c2nc(Cl)c(C=NNC(=O)c3cccc(-c4nn[n-]n4)c3)cc12 ZINC000737511433 945087745 /nfs/dbraw/zinc/08/77/45/945087745.db2.gz NKXWZWSCRXEJTJ-UHFFFAOYSA-N -1 3 395.814 1.874 20 50 GDGDHM Cn1cccc1C(=O)NNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737614036 945105139 /nfs/dbraw/zinc/10/51/39/945105139.db2.gz RUNNLMAAEXRJFS-UHFFFAOYSA-N -1 3 383.412 1.216 20 50 GDGDHM Cn1cccc1C(=O)NNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737614036 945105143 /nfs/dbraw/zinc/10/51/43/945105143.db2.gz RUNNLMAAEXRJFS-UHFFFAOYSA-N -1 3 383.412 1.216 20 50 GDGDHM O=C(C=Cc1ccc2c(c1)OCO2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737795643 945125346 /nfs/dbraw/zinc/12/53/46/945125346.db2.gz BGWAKDYHGWLHIM-FNORWQNLSA-N -1 3 378.348 1.070 20 50 GDGDHM O=C(C=Cc1ccc2c(c1)OCO2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737795643 945125354 /nfs/dbraw/zinc/12/53/54/945125354.db2.gz BGWAKDYHGWLHIM-FNORWQNLSA-N -1 3 378.348 1.070 20 50 GDGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNC(=O)Cn1ccc2ccccc21 ZINC000737799119 945127844 /nfs/dbraw/zinc/12/78/44/945127844.db2.gz JJQYAKZUHGYARM-KTKRTIGZSA-N -1 3 387.403 1.682 20 50 GDGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNC(=O)Cn1ccc2ccccc21 ZINC000737799119 945127851 /nfs/dbraw/zinc/12/78/51/945127851.db2.gz JJQYAKZUHGYARM-KTKRTIGZSA-N -1 3 387.403 1.682 20 50 GDGDHM O=C(C=Cc1ccnc2ccccc12)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737807889 945129419 /nfs/dbraw/zinc/12/94/19/945129419.db2.gz RGNIFXOYRPOXMQ-HJWRWDBZSA-N -1 3 385.387 1.889 20 50 GDGDHM O=C(C=Cc1ccnc2ccccc12)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737807889 945129424 /nfs/dbraw/zinc/12/94/24/945129424.db2.gz RGNIFXOYRPOXMQ-HJWRWDBZSA-N -1 3 385.387 1.889 20 50 GDGDHM O=C(C[C@H]1CCc2ccccc2C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737817926 945130761 /nfs/dbraw/zinc/13/07/61/945130761.db2.gz FQNRMRYZXYGRIP-ZDUSSCGKSA-N -1 3 376.420 1.823 20 50 GDGDHM O=C(C[C@H]1CCc2ccccc2C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737817926 945130765 /nfs/dbraw/zinc/13/07/65/945130765.db2.gz FQNRMRYZXYGRIP-ZDUSSCGKSA-N -1 3 376.420 1.823 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1cccc(Cl)c1 ZINC000737918822 945152565 /nfs/dbraw/zinc/15/25/65/945152565.db2.gz MQLOPPFAFZABGL-UHFFFAOYSA-N -1 3 386.799 1.289 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=Cc1cc(F)c(F)c(F)c1 ZINC000737919506 945153236 /nfs/dbraw/zinc/15/32/36/945153236.db2.gz UMUUPMQZZWSWDS-UHFFFAOYSA-N -1 3 376.298 1.813 20 50 GDGDHM O=C(CSc1ccc(F)cc1F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737946073 945162847 /nfs/dbraw/zinc/16/28/47/945162847.db2.gz AHSVJRCGIJTPDU-UHFFFAOYSA-N -1 3 390.375 1.698 20 50 GDGDHM O=C(CSc1ccc(F)cc1F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737946073 945162850 /nfs/dbraw/zinc/16/28/50/945162850.db2.gz AHSVJRCGIJTPDU-UHFFFAOYSA-N -1 3 390.375 1.698 20 50 GDGDHM O=C(NCCc1c[nH]c2ccccc12)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738087611 945184588 /nfs/dbraw/zinc/18/45/88/945184588.db2.gz HOLQQIVCRGDRSS-UHFFFAOYSA-N -1 3 390.407 1.535 20 50 GDGDHM O=C(NCCc1c[nH]c2ccccc12)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738087611 945184596 /nfs/dbraw/zinc/18/45/96/945184596.db2.gz HOLQQIVCRGDRSS-UHFFFAOYSA-N -1 3 390.407 1.535 20 50 GDGDHM O=C(NN=C1CCOc2cc3c(cc21)OCO3)c1cccc(-c2nnn[n-]2)c1 ZINC000738128441 945194447 /nfs/dbraw/zinc/19/44/47/945194447.db2.gz BXDIFXWQJHFZST-UHFFFAOYSA-N -1 3 378.348 1.512 20 50 GDGDHM O=C(NN=C1CCOc2cc3c(cc21)OCO3)c1cccc(-c2nn[n-]n2)c1 ZINC000738128441 945194450 /nfs/dbraw/zinc/19/44/50/945194450.db2.gz BXDIFXWQJHFZST-UHFFFAOYSA-N -1 3 378.348 1.512 20 50 GDGDHM O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738130541 945211514 /nfs/dbraw/zinc/21/15/14/945211514.db2.gz RPGZQPMCUYSPAT-OLZOCXBDSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738130541 945211517 /nfs/dbraw/zinc/21/15/17/945211517.db2.gz RPGZQPMCUYSPAT-OLZOCXBDSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CCOc2ccc(F)cc21 ZINC000738136343 945234465 /nfs/dbraw/zinc/23/44/65/945234465.db2.gz KAEYPAOPSYPQDN-AWEZNQCLSA-N -1 3 397.370 1.474 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CCOc2ccc(F)cc21 ZINC000738136343 945234473 /nfs/dbraw/zinc/23/44/73/945234473.db2.gz KAEYPAOPSYPQDN-AWEZNQCLSA-N -1 3 397.370 1.474 20 50 GDGDHM CC(=O)N1CCC[C@@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000819796910 945294971 /nfs/dbraw/zinc/29/49/71/945294971.db2.gz QRTBPQZZKZNHBD-SNVBAGLBSA-N -1 3 397.361 1.587 20 50 GDGDHM CC(=O)N1CCC[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000819796910 945294974 /nfs/dbraw/zinc/29/49/74/945294974.db2.gz QRTBPQZZKZNHBD-SNVBAGLBSA-N -1 3 397.361 1.587 20 50 GDGDHM CC(=O)Nc1cncc(C(=O)NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000819827067 945296615 /nfs/dbraw/zinc/29/66/15/945296615.db2.gz QWKDCYKEADIOHL-UHFFFAOYSA-N -1 3 390.407 1.691 20 50 GDGDHM CC(=O)Nc1cncc(C(=O)NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000819827067 945296624 /nfs/dbraw/zinc/29/66/24/945296624.db2.gz QWKDCYKEADIOHL-UHFFFAOYSA-N -1 3 390.407 1.691 20 50 GDGDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820005192 945326507 /nfs/dbraw/zinc/32/65/07/945326507.db2.gz MPIJRUKNKGABNE-UHFFFAOYSA-N -1 3 391.391 1.357 20 50 GDGDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820005192 945326517 /nfs/dbraw/zinc/32/65/17/945326517.db2.gz MPIJRUKNKGABNE-UHFFFAOYSA-N -1 3 391.391 1.357 20 50 GDGDHM CC(C)CC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820051357 945339608 /nfs/dbraw/zinc/33/96/08/945339608.db2.gz NZSXJWCVLLAYOE-UHFFFAOYSA-N -1 3 388.428 1.243 20 50 GDGDHM CC(C)CC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820051357 945339619 /nfs/dbraw/zinc/33/96/19/945339619.db2.gz NZSXJWCVLLAYOE-UHFFFAOYSA-N -1 3 388.428 1.243 20 50 GDGDHM C=CC[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735410358 944647680 /nfs/dbraw/zinc/64/76/80/944647680.db2.gz ZTOMURHJVBFGKX-OAHLLOKOSA-N -1 3 378.396 1.523 20 50 GDGDHM C=CC[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735410358 944647688 /nfs/dbraw/zinc/64/76/88/944647688.db2.gz ZTOMURHJVBFGKX-OAHLLOKOSA-N -1 3 378.396 1.523 20 50 GDGDHM C=CCN(Cc1cccs1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735426362 944650529 /nfs/dbraw/zinc/65/05/29/944650529.db2.gz QARPVRGHSAYXRD-UHFFFAOYSA-N -1 3 383.437 1.971 20 50 GDGDHM C=CCN(Cc1cccs1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735426362 944650534 /nfs/dbraw/zinc/65/05/34/944650534.db2.gz QARPVRGHSAYXRD-UHFFFAOYSA-N -1 3 383.437 1.971 20 50 GDGDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NNC(=O)c1cccc(C#N)c1 ZINC000735662666 944686439 /nfs/dbraw/zinc/68/64/39/944686439.db2.gz VXFWYYGYMKPCED-UHFFFAOYSA-N -1 3 393.411 1.761 20 50 GDGDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NNC(=O)c1cccc(C#N)c1 ZINC000735662666 944686443 /nfs/dbraw/zinc/68/64/43/944686443.db2.gz VXFWYYGYMKPCED-UHFFFAOYSA-N -1 3 393.411 1.761 20 50 GDGDHM CC(C)(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735670105 944687080 /nfs/dbraw/zinc/68/70/80/944687080.db2.gz CSKOXNVBKBJHGG-UHFFFAOYSA-N -1 3 397.414 1.928 20 50 GDGDHM CC(C)(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735670105 944687087 /nfs/dbraw/zinc/68/70/87/944687087.db2.gz CSKOXNVBKBJHGG-UHFFFAOYSA-N -1 3 397.414 1.928 20 50 GDGDHM CC(C)c1ccc(OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735928122 944715381 /nfs/dbraw/zinc/71/53/81/944715381.db2.gz FYMYAGJPOGRRGF-UHFFFAOYSA-N -1 3 380.408 1.830 20 50 GDGDHM CC(C)c1ccc(OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735928122 944715387 /nfs/dbraw/zinc/71/53/87/944715387.db2.gz FYMYAGJPOGRRGF-UHFFFAOYSA-N -1 3 380.408 1.830 20 50 GDGDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NNC(=O)Cc1ccccn1 ZINC000736481015 944831565 /nfs/dbraw/zinc/83/15/65/944831565.db2.gz QRTOMUHIARBDRO-UHFFFAOYSA-N -1 3 394.439 1.457 20 50 GDGDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1ccccn1 ZINC000736481015 944831569 /nfs/dbraw/zinc/83/15/69/944831569.db2.gz QRTOMUHIARBDRO-UHFFFAOYSA-N -1 3 394.439 1.457 20 50 GDGDHM CN(NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC000736842746 944898983 /nfs/dbraw/zinc/89/89/83/944898983.db2.gz WLUVWCFTKYJVSU-UHFFFAOYSA-N -1 3 393.455 1.581 20 50 GDGDHM CN(NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC000736842746 944898985 /nfs/dbraw/zinc/89/89/85/944898985.db2.gz WLUVWCFTKYJVSU-UHFFFAOYSA-N -1 3 393.455 1.581 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)COc1cccc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898076 944907449 /nfs/dbraw/zinc/90/74/49/944907449.db2.gz OUSJUVZTDMUGEV-KRWDZBQOSA-N -1 3 396.407 1.089 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)COc1cccc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898076 944907452 /nfs/dbraw/zinc/90/74/52/944907452.db2.gz OUSJUVZTDMUGEV-KRWDZBQOSA-N -1 3 396.407 1.089 20 50 GDGDHM COC(=O)[C@H](NNC(=O)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897479 944908417 /nfs/dbraw/zinc/90/84/17/944908417.db2.gz NATTYOWHMLVZFW-MRXNPFEDSA-N -1 3 384.371 1.083 20 50 GDGDHM COC(=O)[C@H](NNC(=O)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897479 944908423 /nfs/dbraw/zinc/90/84/23/944908423.db2.gz NATTYOWHMLVZFW-MRXNPFEDSA-N -1 3 384.371 1.083 20 50 GDGDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NNC(=O)CC(C)(C)C ZINC000737032182 944936964 /nfs/dbraw/zinc/93/69/64/944936964.db2.gz FDZXBIFVPAHABA-UHFFFAOYSA-N -1 3 390.444 1.618 20 50 GDGDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NNC(=O)CC(C)(C)C ZINC000737032182 944936970 /nfs/dbraw/zinc/93/69/70/944936970.db2.gz FDZXBIFVPAHABA-UHFFFAOYSA-N -1 3 390.444 1.618 20 50 GDGDHM COc1ccc(CCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737089134 944957920 /nfs/dbraw/zinc/95/79/20/944957920.db2.gz PTMRUBIJJQHYNK-UHFFFAOYSA-N -1 3 399.386 1.201 20 50 GDGDHM COc1ccc(CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737089134 944957926 /nfs/dbraw/zinc/95/79/26/944957926.db2.gz PTMRUBIJJQHYNK-UHFFFAOYSA-N -1 3 399.386 1.201 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc(C#N)n1C ZINC000737212815 944996186 /nfs/dbraw/zinc/99/61/86/944996186.db2.gz MRSFNBVMWFGJEX-WCSRMQSCSA-N -1 3 390.382 1.748 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc(C#N)n1C ZINC000737212815 944996188 /nfs/dbraw/zinc/99/61/88/944996188.db2.gz MRSFNBVMWFGJEX-WCSRMQSCSA-N -1 3 390.382 1.748 20 50 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JHDDQJCLPRIIHW-ZSOIEALJSA-N -1 3 393.407 1.958 20 50 GDGDHM CCOc1cccc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000821430981 945696144 /nfs/dbraw/zinc/69/61/44/945696144.db2.gz JHDDQJCLPRIIHW-ZSOIEALJSA-N -1 3 393.407 1.958 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645212 945770514 /nfs/dbraw/zinc/77/05/14/945770514.db2.gz ULRKQABMJFBSEW-AWEZNQCLSA-N -1 3 386.799 1.669 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645212 945770523 /nfs/dbraw/zinc/77/05/23/945770523.db2.gz ULRKQABMJFBSEW-AWEZNQCLSA-N -1 3 386.799 1.669 20 50 GDGDHM COc1ccc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)cc1O ZINC000821798493 945868687 /nfs/dbraw/zinc/86/86/87/945868687.db2.gz BRLJGMWGPYNNAV-VGOFMYFVSA-N -1 3 393.407 1.451 20 50 GDGDHM COc1ccc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cc1O ZINC000821798493 945868691 /nfs/dbraw/zinc/86/86/91/945868691.db2.gz BRLJGMWGPYNNAV-VGOFMYFVSA-N -1 3 393.407 1.451 20 50 GDGDHM COc1ccc(NNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000821835295 945877996 /nfs/dbraw/zinc/87/79/96/945877996.db2.gz HBKRVCPVGZRORS-UHFFFAOYSA-N -1 3 383.368 1.859 20 50 GDGDHM COc1ccc(NNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000821835295 945878006 /nfs/dbraw/zinc/87/80/06/945878006.db2.gz HBKRVCPVGZRORS-UHFFFAOYSA-N -1 3 383.368 1.859 20 50 GDGDHM COc1cccc2c1CC[C@H]2NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821877110 945892554 /nfs/dbraw/zinc/89/25/54/945892554.db2.gz BGIGEFFYERECDC-OAHLLOKOSA-N -1 3 393.407 1.507 20 50 GDGDHM COc1cccc2c1CC[C@H]2NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821877110 945892569 /nfs/dbraw/zinc/89/25/69/945892569.db2.gz BGIGEFFYERECDC-OAHLLOKOSA-N -1 3 393.407 1.507 20 50 GDGDHM COc1ccccc1CSCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821899424 945900727 /nfs/dbraw/zinc/90/07/27/945900727.db2.gz YLZUBQXLECBSIP-UHFFFAOYSA-N -1 3 398.448 1.570 20 50 GDGDHM COc1ccccc1CSCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821899424 945900736 /nfs/dbraw/zinc/90/07/36/945900736.db2.gz YLZUBQXLECBSIP-UHFFFAOYSA-N -1 3 398.448 1.570 20 50 GDGDHM Cc1[nH]c2ccccc2c1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822009953 945917303 /nfs/dbraw/zinc/91/73/03/945917303.db2.gz IAXWOHVSDRRZLA-UHFFFAOYSA-N -1 3 391.391 1.496 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCCC(=O)OC(C)(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027982 945938705 /nfs/dbraw/zinc/93/87/05/945938705.db2.gz KRAXYDWMEZTLGV-NTEUORMPSA-N -1 3 399.455 1.659 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCCC(=O)OC(C)(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027982 945938709 /nfs/dbraw/zinc/93/87/09/945938709.db2.gz KRAXYDWMEZTLGV-NTEUORMPSA-N -1 3 399.455 1.659 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)NC2CCCC2)cc(-c2nnn[n-]2)n1C ZINC000822028929 945948406 /nfs/dbraw/zinc/94/84/06/945948406.db2.gz UDRRDPYIFAORQX-ZBQKXELDSA-N -1 3 397.439 1.411 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)NC2CCCC2)cc(-c2nn[n-]n2)n1C ZINC000822028929 945948415 /nfs/dbraw/zinc/94/84/15/945948415.db2.gz UDRRDPYIFAORQX-ZBQKXELDSA-N -1 3 397.439 1.411 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)OCc2cn3cccnc3n2)cc(-c2nnn[n-]2)n1C ZINC000822028857 945948490 /nfs/dbraw/zinc/94/84/90/945948490.db2.gz SWKXAFNKMZGETG-AWNIVKPZSA-N -1 3 389.379 1.207 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)OCc2cn3cccnc3n2)cc(-c2nn[n-]n2)n1C ZINC000822028857 945948495 /nfs/dbraw/zinc/94/84/95/945948495.db2.gz SWKXAFNKMZGETG-AWNIVKPZSA-N -1 3 389.379 1.207 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)O[C@H]2Cc3ccccc3C2=O)cc(-c2nnn[n-]2)n1C ZINC000822028810 945949010 /nfs/dbraw/zinc/94/90/10/945949010.db2.gz SIBHJWVLKQDULQ-VRXKTSEUSA-N -1 3 388.387 1.771 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)O[C@H]2Cc3ccccc3C2=O)cc(-c2nn[n-]n2)n1C ZINC000822028810 945949016 /nfs/dbraw/zinc/94/90/16/945949016.db2.gz SIBHJWVLKQDULQ-VRXKTSEUSA-N -1 3 388.387 1.771 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC2(CO)CCCCC2)cc(-c2nnn[n-]2)n1C ZINC000822029420 945954315 /nfs/dbraw/zinc/95/43/15/945954315.db2.gz YIYUUETYPGZMOH-OVCLIPMQSA-N -1 3 383.456 1.480 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC2(CO)CCCCC2)cc(-c2nn[n-]n2)n1C ZINC000822029420 945954327 /nfs/dbraw/zinc/95/43/27/945954327.db2.gz YIYUUETYPGZMOH-OVCLIPMQSA-N -1 3 383.456 1.480 20 50 GDGDHM Cc1cccc([C@@H]2CCCN2C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822299433 946047650 /nfs/dbraw/zinc/04/76/50/946047650.db2.gz IVRXNKCYYJTSLQ-INIZCTEOSA-N -1 3 392.423 1.762 20 50 GDGDHM Cc1cccc([C@@H]2CCCN2C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822299433 946047662 /nfs/dbraw/zinc/04/76/62/946047662.db2.gz IVRXNKCYYJTSLQ-INIZCTEOSA-N -1 3 392.423 1.762 20 50 GDGDHM Cc1cccc(C)c1CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822293697 946047933 /nfs/dbraw/zinc/04/79/33/946047933.db2.gz ILARNAJNBGQPNI-UHFFFAOYSA-N -1 3 379.424 1.670 20 50 GDGDHM Cc1cccc(C)c1CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822293697 946047947 /nfs/dbraw/zinc/04/79/47/946047947.db2.gz ILARNAJNBGQPNI-UHFFFAOYSA-N -1 3 379.424 1.670 20 50 GDGDHM Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)c1C ZINC000822328798 946053384 /nfs/dbraw/zinc/05/33/84/946053384.db2.gz UBVQHZCFWKABTQ-GFCCVEGCSA-N -1 3 383.412 1.051 20 50 GDGDHM Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)c1C ZINC000822328798 946053394 /nfs/dbraw/zinc/05/33/94/946053394.db2.gz UBVQHZCFWKABTQ-GFCCVEGCSA-N -1 3 383.412 1.051 20 50 GDGDHM N#Cc1ccc(OCC(=O)NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000822832935 946198266 /nfs/dbraw/zinc/19/82/66/946198266.db2.gz IYJJTNXOKPSDBV-UHFFFAOYSA-N -1 3 387.403 1.974 20 50 GDGDHM N#Cc1ccc(OCC(=O)NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000822832935 946198277 /nfs/dbraw/zinc/19/82/77/946198277.db2.gz IYJJTNXOKPSDBV-UHFFFAOYSA-N -1 3 387.403 1.974 20 50 GDGDHM O=C(CN1CCCc2ccccc2C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822997796 946259401 /nfs/dbraw/zinc/25/94/01/946259401.db2.gz VGMDMJISLJUUAO-UHFFFAOYSA-N -1 3 391.435 1.076 20 50 GDGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000823049310 946294983 /nfs/dbraw/zinc/29/49/83/946294983.db2.gz BQOPOIXZWLWFMP-BFHYXJOUSA-N -1 3 399.455 1.545 20 50 GDGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000823049310 946294992 /nfs/dbraw/zinc/29/49/92/946294992.db2.gz BQOPOIXZWLWFMP-BFHYXJOUSA-N -1 3 399.455 1.545 20 50 GDGDHM O=C(CSc1ncccc1Cl)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823070977 946303342 /nfs/dbraw/zinc/30/33/42/946303342.db2.gz VVFRSPGDQWQCGM-UHFFFAOYSA-N -1 3 389.828 1.468 20 50 GDGDHM O=C(CSc1ncccc1Cl)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823070977 946303353 /nfs/dbraw/zinc/30/33/53/946303353.db2.gz VVFRSPGDQWQCGM-UHFFFAOYSA-N -1 3 389.828 1.468 20 50 GDGDHM O=C(Cc1ccccc1F)NNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823115502 946317970 /nfs/dbraw/zinc/31/79/70/946317970.db2.gz PVCVMFCFSPVWKX-UHFFFAOYSA-N -1 3 387.350 1.218 20 50 GDGDHM O=C(Cc1ccccc1F)NNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823115502 946317985 /nfs/dbraw/zinc/31/79/85/946317985.db2.gz PVCVMFCFSPVWKX-UHFFFAOYSA-N -1 3 387.350 1.218 20 50 GDGDHM O=C(Cc1ccn(-c2ccccc2)n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823115388 946319527 /nfs/dbraw/zinc/31/95/27/946319527.db2.gz NBVKQLCOAPKBHK-UHFFFAOYSA-N -1 3 388.391 1.056 20 50 GDGDHM O=C(Cc1ccn(-c2ccccc2)n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823115388 946319538 /nfs/dbraw/zinc/31/95/38/946319538.db2.gz NBVKQLCOAPKBHK-UHFFFAOYSA-N -1 3 388.391 1.056 20 50 GDGDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NNc1ccc(Cl)nn1 ZINC000823214851 946346401 /nfs/dbraw/zinc/34/64/01/946346401.db2.gz DPZUQPMDEYHACP-UHFFFAOYSA-N -1 3 375.780 1.015 20 50 GDGDHM O=C(NNC(=O)N1CCOC2(C1)CCCCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000823276955 946391040 /nfs/dbraw/zinc/39/10/40/946391040.db2.gz ABMMAJQWMICQQF-UHFFFAOYSA-N -1 3 399.455 1.646 20 50 GDGDHM O=C(NNC(=O)N1CCOC2(C1)CCCCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000823276955 946391051 /nfs/dbraw/zinc/39/10/51/946391051.db2.gz ABMMAJQWMICQQF-UHFFFAOYSA-N -1 3 399.455 1.646 20 50 GDGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000825394436 947171673 /nfs/dbraw/zinc/17/16/73/947171673.db2.gz CVNDVAXNRSGDTR-UHFFFAOYSA-N -1 3 383.387 1.293 20 50 GDGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000825394436 947171678 /nfs/dbraw/zinc/17/16/78/947171678.db2.gz CVNDVAXNRSGDTR-UHFFFAOYSA-N -1 3 383.387 1.293 20 50 GDGDHM CCOC(=O)Nc1ccc(NC(=O)NNc2ccccn2)cc1-c1nnn[n-]1 ZINC000825539485 947217614 /nfs/dbraw/zinc/21/76/14/947217614.db2.gz PUVSMHCKGJXNHF-UHFFFAOYSA-N -1 3 383.372 1.979 20 50 GDGDHM CCOC(=O)Nc1ccc(NC(=O)NNc2ccccn2)cc1-c1nn[n-]n1 ZINC000825539485 947217620 /nfs/dbraw/zinc/21/76/20/947217620.db2.gz PUVSMHCKGJXNHF-UHFFFAOYSA-N -1 3 383.372 1.979 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000826447718 948312069 /nfs/dbraw/zinc/31/20/69/948312069.db2.gz SSYFKRVNHHDBLP-ZIAGYGMSSA-N -1 3 397.420 1.014 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000826447718 948312080 /nfs/dbraw/zinc/31/20/80/948312080.db2.gz SSYFKRVNHHDBLP-ZIAGYGMSSA-N -1 3 397.420 1.014 20 50 GDGDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC001573856819 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O=C(Cc1cccnc1)NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737974190 945168729 /nfs/dbraw/zinc/16/87/29/945168729.db2.gz KAWCLAOBJALIMH-UHFFFAOYSA-N -1 3 388.844 1.475 20 50 GDGDHM O=C(Cc1cccnc1)NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737974190 945168731 /nfs/dbraw/zinc/16/87/31/945168731.db2.gz KAWCLAOBJALIMH-UHFFFAOYSA-N -1 3 388.844 1.475 20 50 GDGDHM O=C(NCC1(c2cccc(F)c2)CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738041278 945174674 /nfs/dbraw/zinc/17/46/74/945174674.db2.gz XTXDZPWWTKJVER-UHFFFAOYSA-N -1 3 395.398 1.682 20 50 GDGDHM O=C(NCC1(c2cccc(F)c2)CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738041278 945174686 /nfs/dbraw/zinc/17/46/86/945174686.db2.gz XTXDZPWWTKJVER-UHFFFAOYSA-N -1 3 395.398 1.682 20 50 GDGDHM O=C(NC[C@@H]1CCCc2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738050115 945176271 /nfs/dbraw/zinc/17/62/71/945176271.db2.gz NVJWHOUNLVXPIB-INIZCTEOSA-N -1 3 391.435 1.931 20 50 GDGDHM O=C(NC[C@@H]1CCCc2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738050115 945176279 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O=C(NN=Cc1ccc(N2CCOCC2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129525 945202745 /nfs/dbraw/zinc/20/27/45/945202745.db2.gz TXRAMCATVICNSW-UHFFFAOYSA-N -1 3 383.437 1.529 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CSc2ccccc21 ZINC000738136116 945229950 /nfs/dbraw/zinc/22/99/50/945229950.db2.gz FQWHTPHOUDOJNI-CYBMUJFWSA-N -1 3 381.421 1.658 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CSc2ccccc21 ZINC000738136116 945229955 /nfs/dbraw/zinc/22/99/55/945229955.db2.gz FQWHTPHOUDOJNI-CYBMUJFWSA-N -1 3 381.421 1.658 20 50 GDGDHM O=C(NNc1cccnn1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738136649 945237944 /nfs/dbraw/zinc/23/79/44/945237944.db2.gz IFPLCGOKTFALGZ-UHFFFAOYSA-N -1 3 388.391 1.993 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H](CCCO)c1ccccc1 ZINC000738137308 945244483 /nfs/dbraw/zinc/24/44/83/945244483.db2.gz TXFHFJHMUZZOHS-MRXNPFEDSA-N -1 3 395.423 1.325 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H](CCCO)c1ccccc1 ZINC000738137308 945244492 /nfs/dbraw/zinc/24/44/92/945244492.db2.gz TXFHFJHMUZZOHS-MRXNPFEDSA-N -1 3 395.423 1.325 20 50 GDGDHM C#Cc1cccc(NC(=S)NNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735390901 944645873 /nfs/dbraw/zinc/64/58/73/944645873.db2.gz HTAMJCJJXVVVIB-KHPPLWFESA-N -1 3 389.444 1.879 20 50 GDGDHM C#Cc1cccc(NC(=S)NNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735390901 944645878 /nfs/dbraw/zinc/64/58/78/944645878.db2.gz HTAMJCJJXVVVIB-KHPPLWFESA-N -1 3 389.444 1.879 20 50 GDGDHM C[C@@H](C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735549997 944669482 /nfs/dbraw/zinc/66/94/82/944669482.db2.gz DPYLIVCAIBUKKL-LLVKDONJSA-N -1 3 384.371 1.336 20 50 GDGDHM CC(C)(C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735581452 944673601 /nfs/dbraw/zinc/67/36/01/944673601.db2.gz UDNRPHPQKMGFQY-UHFFFAOYSA-N -1 3 398.398 1.510 20 50 GDGDHM CC(C)Oc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735913907 944711267 /nfs/dbraw/zinc/71/12/67/944711267.db2.gz DKGYKPLQURYSGN-UHFFFAOYSA-N -1 3 395.423 1.798 20 50 GDGDHM CC(C)Oc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735913907 944711274 /nfs/dbraw/zinc/71/12/74/944711274.db2.gz DKGYKPLQURYSGN-UHFFFAOYSA-N -1 3 395.423 1.798 20 50 GDGDHM CC[C@@H](C(=O)NNC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736312479 944796352 /nfs/dbraw/zinc/79/63/52/944796352.db2.gz GUNACLUYPQUNND-MRXNPFEDSA-N -1 3 380.408 1.587 20 50 GDGDHM CC[C@@H](C(=O)NNC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736312479 944796358 /nfs/dbraw/zinc/79/63/58/944796358.db2.gz GUNACLUYPQUNND-MRXNPFEDSA-N -1 3 380.408 1.587 20 50 GDGDHM CC[C@@H](C(=O)NNC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736312972 944796680 /nfs/dbraw/zinc/79/66/80/944796680.db2.gz JZCBPAZGNVMKQS-MRXNPFEDSA-N -1 3 379.424 1.891 20 50 GDGDHM CC[C@@H](C(=O)NNC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736312972 944796686 /nfs/dbraw/zinc/79/66/86/944796686.db2.gz JZCBPAZGNVMKQS-MRXNPFEDSA-N -1 3 379.424 1.891 20 50 GDGDHM CCN(C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](C)c1cccnc1 ZINC000736505802 944839222 /nfs/dbraw/zinc/83/92/22/944839222.db2.gz NWVOJHNUDKZQHF-GFCCVEGCSA-N -1 3 380.412 1.699 20 50 GDGDHM CCN(C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](C)c1cccnc1 ZINC000736505802 944839227 /nfs/dbraw/zinc/83/92/27/944839227.db2.gz NWVOJHNUDKZQHF-GFCCVEGCSA-N -1 3 380.412 1.699 20 50 GDGDHM CCOC[C@@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736608825 944854598 /nfs/dbraw/zinc/85/45/98/944854598.db2.gz MQBXUZJWMWJRQD-UVYNJXETSA-N -1 3 383.456 1.696 20 50 GDGDHM CCOC[C@@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736608825 944854609 /nfs/dbraw/zinc/85/46/09/944854609.db2.gz MQBXUZJWMWJRQD-UVYNJXETSA-N -1 3 383.456 1.696 20 50 GDGDHM CCOc1ccccc1CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736654041 944863234 /nfs/dbraw/zinc/86/32/34/944863234.db2.gz OYNVCRUJUXUBQL-UHFFFAOYSA-N -1 3 395.423 1.452 20 50 GDGDHM CCOc1ccccc1CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736654041 944863242 /nfs/dbraw/zinc/86/32/42/944863242.db2.gz OYNVCRUJUXUBQL-UHFFFAOYSA-N -1 3 395.423 1.452 20 50 GDGDHM CCOc1ccccc1CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736654828 944863868 /nfs/dbraw/zinc/86/38/68/944863868.db2.gz ZDSJBYQGHADJBO-UHFFFAOYSA-N -1 3 395.423 1.452 20 50 GDGDHM CCOc1ccccc1CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736654828 944863875 /nfs/dbraw/zinc/86/38/75/944863875.db2.gz ZDSJBYQGHADJBO-UHFFFAOYSA-N -1 3 395.423 1.452 20 50 GDGDHM CC[S@](=O)c1ccccc1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736668188 944865445 /nfs/dbraw/zinc/86/54/45/944865445.db2.gz YRFCXMVKCNEEPU-MHZLTWQESA-N -1 3 384.421 1.069 20 50 GDGDHM CN(Cc1ccc(F)cc1F)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736819725 944895372 /nfs/dbraw/zinc/89/53/72/944895372.db2.gz OAIWBMXXASDHDE-UHFFFAOYSA-N -1 3 387.350 1.631 20 50 GDGDHM CN(Cc1ccc(F)cc1F)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736819725 944895384 /nfs/dbraw/zinc/89/53/84/944895384.db2.gz OAIWBMXXASDHDE-UHFFFAOYSA-N -1 3 387.350 1.631 20 50 GDGDHM COC(=O)CCn1nc(C)c(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736918941 944911224 /nfs/dbraw/zinc/91/12/24/944911224.db2.gz KBJVBYHAPNNPMY-UHFFFAOYSA-N -1 3 396.411 1.007 20 50 GDGDHM COC(=O)CCn1nc(C)c(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736918941 944911241 /nfs/dbraw/zinc/91/12/41/944911241.db2.gz KBJVBYHAPNNPMY-UHFFFAOYSA-N -1 3 396.411 1.007 20 50 GDGDHM COc1ccc(C2(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)CCC2)cc1 ZINC000737076681 944946043 /nfs/dbraw/zinc/94/60/43/944946043.db2.gz KULGEEFTONMKDL-UHFFFAOYSA-N -1 3 392.419 1.758 20 50 GDGDHM COc1ccc(C2(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)CCC2)cc1 ZINC000737076681 944946056 /nfs/dbraw/zinc/94/60/56/944946056.db2.gz KULGEEFTONMKDL-UHFFFAOYSA-N -1 3 392.419 1.758 20 50 GDGDHM COc1ccc([C@@H](C)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737074255 944946831 /nfs/dbraw/zinc/94/68/31/944946831.db2.gz WYNUHZVWXHFLKG-SNVBAGLBSA-N -1 3 399.386 1.720 20 50 GDGDHM COc1ccc([C@@H](C)NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737074255 944946837 /nfs/dbraw/zinc/94/68/37/944946837.db2.gz WYNUHZVWXHFLKG-SNVBAGLBSA-N -1 3 399.386 1.720 20 50 GDGDHM COc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737082544 944955189 /nfs/dbraw/zinc/95/51/89/944955189.db2.gz XARGAEJTDOZRLI-LLVKDONJSA-N -1 3 384.371 1.932 20 50 GDGDHM COc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737082544 944955197 /nfs/dbraw/zinc/95/51/97/944955197.db2.gz XARGAEJTDOZRLI-LLVKDONJSA-N -1 3 384.371 1.932 20 50 GDGDHM COc1ccc(CN(C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737090757 944956908 /nfs/dbraw/zinc/95/69/08/944956908.db2.gz SWQNMMHCBQRAGB-UHFFFAOYSA-N -1 3 399.386 1.501 20 50 GDGDHM COc1ccc(CN(C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737090757 944956911 /nfs/dbraw/zinc/95/69/11/944956911.db2.gz SWQNMMHCBQRAGB-UHFFFAOYSA-N -1 3 399.386 1.501 20 50 GDGDHM COc1cccc(CSCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737132704 944965300 /nfs/dbraw/zinc/96/53/00/944965300.db2.gz QQJQSRUTIZEGOT-UHFFFAOYSA-N -1 3 398.448 1.570 20 50 GDGDHM COc1cccc(CSCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737132704 944965306 /nfs/dbraw/zinc/96/53/06/944965306.db2.gz QQJQSRUTIZEGOT-UHFFFAOYSA-N -1 3 398.448 1.570 20 50 GDGDHM COc1ccccc1C(C)=CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737142869 944968561 /nfs/dbraw/zinc/96/85/61/944968561.db2.gz QOPLNEPTDNPBCM-VAWYXSNFSA-N -1 3 378.392 1.740 20 50 GDGDHM COc1ccccc1C(C)=CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737142869 944968576 /nfs/dbraw/zinc/96/85/76/944968576.db2.gz QOPLNEPTDNPBCM-VAWYXSNFSA-N -1 3 378.392 1.740 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc(-c2nn[n-]n2)n1C ZINC000737211584 944986211 /nfs/dbraw/zinc/98/62/11/944986211.db2.gz DGMMKFCAJZRMLL-MGMWDDNKSA-N -1 3 391.439 1.550 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cc(C(N)=O)ccc2F)cc(-c2nnn[n-]2)n1C ZINC000737212940 944996718 /nfs/dbraw/zinc/99/67/18/944996718.db2.gz OGQVCSZRTBDPQQ-LFYBBSHMSA-N -1 3 394.370 1.297 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cc(C(N)=O)ccc2F)cc(-c2nn[n-]n2)n1C ZINC000737212940 944996724 /nfs/dbraw/zinc/99/67/24/944996724.db2.gz OGQVCSZRTBDPQQ-LFYBBSHMSA-N -1 3 394.370 1.297 20 50 GDGDHM Cc1cc(C(=O)NNc2cnccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236424 945016861 /nfs/dbraw/zinc/01/68/61/945016861.db2.gz KLGDENFLTWTHJM-UHFFFAOYSA-N -1 3 375.396 1.821 20 50 GDGDHM C[C@@H](CC(=O)c1ccccc1F)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820227087 945390590 /nfs/dbraw/zinc/39/05/90/945390590.db2.gz XZDNDRISXIOHHL-NSHDSACASA-N -1 3 396.382 1.676 20 50 GDGDHM C[C@@H](CC(=O)c1ccccc1F)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820227087 945390602 /nfs/dbraw/zinc/39/06/02/945390602.db2.gz XZDNDRISXIOHHL-NSHDSACASA-N -1 3 396.382 1.676 20 50 GDGDHM CC1(C)CCCC[C@H]1NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820596400 945496949 /nfs/dbraw/zinc/49/69/49/945496949.db2.gz PCTJXXNCZYQOKE-CQSZACIVSA-N -1 3 387.444 1.545 20 50 GDGDHM CCCCCNC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821055492 945625865 /nfs/dbraw/zinc/62/58/65/945625865.db2.gz BFLAROMSKUVHOU-NCPSJORJSA-N -1 3 399.455 1.659 20 50 GDGDHM CCCCCNC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821055492 945625870 /nfs/dbraw/zinc/62/58/70/945625870.db2.gz BFLAROMSKUVHOU-NCPSJORJSA-N -1 3 399.455 1.659 20 50 GDGDHM CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C12CCCC2 ZINC000821358896 945679258 /nfs/dbraw/zinc/67/92/58/945679258.db2.gz LJRZNUBOIKTFEW-CABCVRRESA-N -1 3 399.455 1.549 20 50 GDGDHM CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C12CCCC2 ZINC000821358896 945679263 /nfs/dbraw/zinc/67/92/63/945679263.db2.gz LJRZNUBOIKTFEW-CABCVRRESA-N -1 3 399.455 1.549 20 50 GDGDHM CO[C@H](C)c1noc(COC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000821676005 945796285 /nfs/dbraw/zinc/79/62/85/945796285.db2.gz YTYDEOKEQGTTQL-STCRIKGOSA-N -1 3 398.383 1.254 20 50 GDGDHM CO[C@H](C)c1noc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000821676005 945796291 /nfs/dbraw/zinc/79/62/91/945796291.db2.gz YTYDEOKEQGTTQL-STCRIKGOSA-N -1 3 398.383 1.254 20 50 GDGDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NNc1cc(C)ccn1 ZINC000821701335 945834961 /nfs/dbraw/zinc/83/49/61/945834961.db2.gz KXKXWKORUWIOFB-UHFFFAOYSA-N -1 3 383.412 1.881 20 50 GDGDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NNc1cc(C)ccn1 ZINC000821701335 945834972 /nfs/dbraw/zinc/83/49/72/945834972.db2.gz KXKXWKORUWIOFB-UHFFFAOYSA-N -1 3 383.412 1.881 20 50 GDGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNc1cccc(F)c1F ZINC000821701556 945835128 /nfs/dbraw/zinc/83/51/28/945835128.db2.gz SPKKDSKKACIGDG-UHFFFAOYSA-N -1 3 376.323 1.676 20 50 GDGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNc1cccc(F)c1F ZINC000821701556 945835138 /nfs/dbraw/zinc/83/51/38/945835138.db2.gz SPKKDSKKACIGDG-UHFFFAOYSA-N -1 3 376.323 1.676 20 50 GDGDHM COc1ccc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)c(F)c1 ZINC000821798791 945869677 /nfs/dbraw/zinc/86/96/77/945869677.db2.gz NSRMUZKCSNGMOS-MKMNVTDBSA-N -1 3 395.398 1.885 20 50 GDGDHM COc1ccc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)c(F)c1 ZINC000821798791 945869685 /nfs/dbraw/zinc/86/96/85/945869685.db2.gz NSRMUZKCSNGMOS-MKMNVTDBSA-N -1 3 395.398 1.885 20 50 GDGDHM COc1cccc(NCC(=O)NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000821873885 945890539 /nfs/dbraw/zinc/89/05/39/945890539.db2.gz ZVNPVYAYQRTEBN-UHFFFAOYSA-N -1 3 390.407 1.919 20 50 GDGDHM COc1cccc(NCC(=O)NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000821873885 945890559 /nfs/dbraw/zinc/89/05/59/945890559.db2.gz ZVNPVYAYQRTEBN-UHFFFAOYSA-N -1 3 390.407 1.919 20 50 GDGDHM COc1ccccc1CC(=O)NNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821891059 945898759 /nfs/dbraw/zinc/89/87/59/945898759.db2.gz UIJRUDFPPNIWFZ-GFCCVEGCSA-N -1 3 395.423 1.509 20 50 GDGDHM COc1ccccc1CC(=O)NNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821891059 945898770 /nfs/dbraw/zinc/89/87/70/945898770.db2.gz UIJRUDFPPNIWFZ-GFCCVEGCSA-N -1 3 395.423 1.509 20 50 GDGDHM CS(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821936890 945906898 /nfs/dbraw/zinc/90/68/98/945906898.db2.gz HMVOUYIGGAHXDY-UHFFFAOYSA-N -1 3 388.384 1.173 20 50 GDGDHM CS(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821936890 945906903 /nfs/dbraw/zinc/90/69/03/945906903.db2.gz HMVOUYIGGAHXDY-UHFFFAOYSA-N -1 3 388.384 1.173 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccccc2F)cc(-c2nnn[n-]2)n1C ZINC000822026953 945926221 /nfs/dbraw/zinc/92/62/21/945926221.db2.gz BNOSRHHDHIUMGQ-BNXPMYBGSA-N -1 3 395.398 1.410 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccccc2F)cc(-c2nn[n-]n2)n1C ZINC000822026953 945926227 /nfs/dbraw/zinc/92/62/27/945926227.db2.gz BNOSRHHDHIUMGQ-BNXPMYBGSA-N -1 3 395.398 1.410 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cnn(CC3CC3)c2)cc(-c2nn[n-]n2)n1C ZINC000822028776 945945995 /nfs/dbraw/zinc/94/59/95/945945995.db2.gz SAIQGFMRCVWYND-RZNTYIFUSA-N -1 3 377.412 1.666 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC[C@H](O)c2ccccc2)cc(-c2nnn[n-]2)n1C ZINC000822029007 945949190 /nfs/dbraw/zinc/94/91/90/945949190.db2.gz UJJSHKPLVSIZOY-BXBHGGAKSA-N -1 3 391.435 1.661 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC[C@H](O)c2ccccc2)cc(-c2nn[n-]n2)n1C ZINC000822029007 945949198 /nfs/dbraw/zinc/94/91/98/945949198.db2.gz UJJSHKPLVSIZOY-BXBHGGAKSA-N -1 3 391.435 1.661 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)C2CCCCC2)cc(-c2nnn[n-]2)n1C ZINC000822028825 945949807 /nfs/dbraw/zinc/94/98/07/945949807.db2.gz SKHKOBWRNFPWJX-KCPLEYNQSA-N -1 3 383.456 1.478 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)C2CCCCC2)cc(-c2nn[n-]n2)n1C ZINC000822028825 945949822 /nfs/dbraw/zinc/94/98/22/945949822.db2.gz SKHKOBWRNFPWJX-KCPLEYNQSA-N -1 3 383.456 1.478 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccc(C)cc2)cc(-c2nnn[n-]2)n1C ZINC000822230577 946011355 /nfs/dbraw/zinc/01/13/55/946011355.db2.gz KHTGRWZFSOIUID-XSZFBFBBSA-N -1 3 391.435 1.579 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccc(C)cc2)cc(-c2nn[n-]n2)n1C ZINC000822230577 946011364 /nfs/dbraw/zinc/01/13/64/946011364.db2.gz KHTGRWZFSOIUID-XSZFBFBBSA-N -1 3 391.435 1.579 20 50 GDGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNc1ccc(-c2ccccc2)nn1 ZINC000823009483 946264439 /nfs/dbraw/zinc/26/44/39/946264439.db2.gz KIVPKHSFMWMIKP-UHFFFAOYSA-N -1 3 387.407 1.879 20 50 GDGDHM O=C(/C=C\C1CCCCC1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018596 946274170 /nfs/dbraw/zinc/27/41/70/946274170.db2.gz SUIGTLCCGRAKPW-KTKRTIGZSA-N -1 3 398.423 1.307 20 50 GDGDHM O=C(/C=C\C1CCCCC1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018596 946274180 /nfs/dbraw/zinc/27/41/80/946274180.db2.gz SUIGTLCCGRAKPW-KTKRTIGZSA-N -1 3 398.423 1.307 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C1(Cc2ccccc2)CC1 ZINC000823037121 946287367 /nfs/dbraw/zinc/28/73/67/946287367.db2.gz QHACJLSWHPRQNW-UHFFFAOYSA-N -1 3 392.419 1.416 20 50 GDGDHM O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823170640 946334681 /nfs/dbraw/zinc/33/46/81/946334681.db2.gz FWOOQFSCFUYRCD-BRWVUGGUSA-N -1 3 389.419 1.397 20 50 GDGDHM O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823170640 946334689 /nfs/dbraw/zinc/33/46/89/946334689.db2.gz FWOOQFSCFUYRCD-BRWVUGGUSA-N -1 3 389.419 1.397 20 50 GDGDHM O=C(NCc1ccc2c(c1)COC2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823254458 946357040 /nfs/dbraw/zinc/35/70/40/946357040.db2.gz VKINDMJTJPMVJC-UHFFFAOYSA-N -1 3 379.380 1.041 20 50 GDGDHM O=C(NCc1ccc2c(c1)COC2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823254458 946357055 /nfs/dbraw/zinc/35/70/55/946357055.db2.gz VKINDMJTJPMVJC-UHFFFAOYSA-N -1 3 379.380 1.041 20 50 GDGDHM C=CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573301092 947130785 /nfs/dbraw/zinc/13/07/85/947130785.db2.gz RRBHWYZFBOOAOG-UHFFFAOYSA-N -1 3 377.364 1.066 20 50 GDGDHM C=CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573301092 947130798 /nfs/dbraw/zinc/13/07/98/947130798.db2.gz RRBHWYZFBOOAOG-UHFFFAOYSA-N -1 3 377.364 1.066 20 50 GDGDHM C=CCCCCCCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001573335968 947495543 /nfs/dbraw/zinc/49/55/43/947495543.db2.gz YECHUWAVNFFRLC-UHFFFAOYSA-N -1 3 387.444 1.712 20 50 GDGDHM Cc1c(NC(=O)NNc2cccc(S(C)(=O)=O)c2)cccc1-c1nnn[n-]1 ZINC000826242051 947717629 /nfs/dbraw/zinc/71/76/29/947717629.db2.gz XWDUOGPGRGZCJV-UHFFFAOYSA-N -1 3 387.425 1.727 20 50 GDGDHM Cc1c(NC(=O)NNc2cccc(S(C)(=O)=O)c2)cccc1-c1nn[n-]n1 ZINC000826242051 947717637 /nfs/dbraw/zinc/71/76/37/947717637.db2.gz XWDUOGPGRGZCJV-UHFFFAOYSA-N -1 3 387.425 1.727 20 50 GDGDHM COc1cc(CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1OC ZINC000826178690 607338336 /nfs/dbraw/zinc/33/83/36/607338336.db2.gz IIGUBISUFJHWMG-UHFFFAOYSA-N -1 3 398.423 1.968 20 50 GDGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=S)Nc1ccc(N(C)C)cc1 ZINC000826249797 607339052 /nfs/dbraw/zinc/33/90/52/607339052.db2.gz VNEDYYNNDRPXRI-UHFFFAOYSA-N -1 3 396.480 1.873 20 50 GDGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=S)Nc1ccc(N(C)C)cc1 ZINC000826249797 607339053 /nfs/dbraw/zinc/33/90/53/607339053.db2.gz VNEDYYNNDRPXRI-UHFFFAOYSA-N -1 3 396.480 1.873 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c(=O)c(Br)c1 ZINC000826446253 607340954 /nfs/dbraw/zinc/34/09/54/607340954.db2.gz FNOJVNZFMUKCKN-UHFFFAOYSA-N -1 3 376.174 1.487 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000826446819 607341323 /nfs/dbraw/zinc/34/13/23/607341323.db2.gz ZXXZPRJKQNDVOW-NSHDSACASA-N -1 3 399.361 1.641 20 50 GDGDHM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825220053 607343117 /nfs/dbraw/zinc/34/31/17/607343117.db2.gz PGKJQFKKCPHCTA-MCRQLQJRSA-N -1 3 387.469 1.568 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000826446138 607344592 /nfs/dbraw/zinc/34/45/92/607344592.db2.gz BCXFEHGIXCZYQV-HUUCEWRRSA-N -1 3 378.392 1.885 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000826446136 607344696 /nfs/dbraw/zinc/34/46/96/607344696.db2.gz BCXFEHGIXCZYQV-CABCVRRESA-N -1 3 378.392 1.885 20 50 GDGDHM CCc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccn1 ZINC000825687615 607345344 /nfs/dbraw/zinc/34/53/44/607345344.db2.gz KJAPXBBIWKCQET-UHFFFAOYSA-N -1 3 375.396 1.767 20 50 GDGDHM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824104820 607348610 /nfs/dbraw/zinc/34/86/10/607348610.db2.gz YQARBHZPMIELBE-SFHVURJKSA-N -1 3 387.444 1.957 20 50 GDGDHM CCOC(=O)c1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC000825559619 607346559 /nfs/dbraw/zinc/34/65/59/607346559.db2.gz JVLSMJBDMJKETC-UHFFFAOYSA-N -1 3 397.351 1.709 20 50 GDGDHM O=C(CCN1C(=O)COc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406763 607355407 /nfs/dbraw/zinc/35/54/07/607355407.db2.gz LLVWKTUXBMDHJA-UHFFFAOYSA-N -1 3 379.380 1.126 20 50 GDGDHM O=C(Cc1ccc(NC(=O)C2CC2)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423132 607356693 /nfs/dbraw/zinc/35/66/93/607356693.db2.gz ZOLKYDFXQLTKQM-UHFFFAOYSA-N -1 3 377.408 1.901 20 50 GDGDHM Cc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826234912 607715065 /nfs/dbraw/zinc/71/50/65/607715065.db2.gz TYFXNCRIZYNCDQ-UHFFFAOYSA-N -1 3 384.312 1.748 20 50 GDGDHM Cc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826234912 607715067 /nfs/dbraw/zinc/71/50/67/607715067.db2.gz TYFXNCRIZYNCDQ-UHFFFAOYSA-N -1 3 384.312 1.748 20 50 GDGDHM O=C(CCn1cnc2ccccc2c1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409781 607722887 /nfs/dbraw/zinc/72/28/87/607722887.db2.gz OWJRBMPRBNDZAV-UHFFFAOYSA-N -1 3 376.380 1.110 20 50 GDGDHM O=C(CCn1cnc2ccccc2c1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409781 607722889 /nfs/dbraw/zinc/72/28/89/607722889.db2.gz OWJRBMPRBNDZAV-UHFFFAOYSA-N -1 3 376.380 1.110 20 50 GDGDHM O=C(CCc1nc2ccccc2oc1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409078 607723010 /nfs/dbraw/zinc/72/30/10/607723010.db2.gz HVPJSGHAAGBGMX-UHFFFAOYSA-N -1 3 377.364 1.444 20 50 GDGDHM O=C(CCc1nc2ccccc2c(=O)[nH]1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409296 607731693 /nfs/dbraw/zinc/73/16/93/607731693.db2.gz QRPZNJJCHUTPPX-UHFFFAOYSA-N -1 3 376.380 1.591 20 50 GDGDHM O=C(CCc1nc2ccccc2c(=O)[nH]1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409296 607731695 /nfs/dbraw/zinc/73/16/95/607731695.db2.gz QRPZNJJCHUTPPX-UHFFFAOYSA-N -1 3 376.380 1.591 20 50 GDGDHM CC(C)(C(=O)[O-])[C@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000833412205 605180353 /nfs/dbraw/zinc/18/03/53/605180353.db2.gz IDYJONXIWHOGPT-GOSISDBHSA-N -1 3 394.431 1.761 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000823280990 606968818 /nfs/dbraw/zinc/96/88/18/606968818.db2.gz KUHWJPVVZZNTRJ-JKSUJKDBSA-N -1 3 386.460 1.136 20 50 GDGDHM Cc1cnc(CCN(C)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826318369 607854759 /nfs/dbraw/zinc/85/47/59/607854759.db2.gz FUNFWDSHNNNJNK-UHFFFAOYSA-N -1 3 386.441 1.161 20 50 GDGDHM Cc1cnc(CCN(C)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826318369 607854760 /nfs/dbraw/zinc/85/47/60/607854760.db2.gz FUNFWDSHNNNJNK-UHFFFAOYSA-N -1 3 386.441 1.161 20 50 GDGDHM C[C@H]1Cc2ccccc2CN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825012075 607923188 /nfs/dbraw/zinc/92/31/88/607923188.db2.gz CZCULQXRPLVSLH-ZDUSSCGKSA-N -1 3 391.435 1.075 20 50 GDGDHM C[C@H]1Cc2ccccc2CN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825012075 607923189 /nfs/dbraw/zinc/92/31/89/607923189.db2.gz CZCULQXRPLVSLH-ZDUSSCGKSA-N -1 3 391.435 1.075 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H](c1cccnc1)C1CC1 ZINC000826445114 607979844 /nfs/dbraw/zinc/97/98/44/607979844.db2.gz HGTGRPFCESUQRG-HNNXBMFYSA-N -1 3 378.396 1.357 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H](c1cccnc1)C1CC1 ZINC000826445114 607979845 /nfs/dbraw/zinc/97/98/45/607979845.db2.gz HGTGRPFCESUQRG-HNNXBMFYSA-N -1 3 378.396 1.357 20 50 GDGDHM CN1C(=O)C[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccc(F)cc1 ZINC000826010640 607995529 /nfs/dbraw/zinc/99/55/29/607995529.db2.gz MSYRQKWMPIUTBC-DOTOQJQBSA-N -1 3 395.398 1.669 20 50 GDGDHM CN1C(=O)C[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)[C@H]1c1ccc(F)cc1 ZINC000826010640 607995530 /nfs/dbraw/zinc/99/55/30/607995530.db2.gz MSYRQKWMPIUTBC-DOTOQJQBSA-N -1 3 395.398 1.669 20 50 GDGDHM COc1ccc(O)c(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)c1 ZINC000826210572 607999488 /nfs/dbraw/zinc/99/94/88/607999488.db2.gz WWTIRXUFJBEHGV-SDQBBNPISA-N -1 3 379.380 1.774 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CCO)c2cccs2)cc(-c2nnn[n-]2)n1C 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382.380 1.267 20 50 GDGDHM N#CCC[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381434 607709446 /nfs/dbraw/zinc/70/94/46/607709446.db2.gz LWWWIFRGPPNMHZ-INIZCTEOSA-N -1 3 390.407 1.856 20 50 GDGDHM N#CCC[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381434 607709448 /nfs/dbraw/zinc/70/94/48/607709448.db2.gz LWWWIFRGPPNMHZ-INIZCTEOSA-N -1 3 390.407 1.856 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NNc2ccc([N+](=O)[O-])cc2)cc(-c2nnn[n-]2)n1C ZINC000826235770 607711701 /nfs/dbraw/zinc/71/17/01/607711701.db2.gz QTOKMBIWMXBEBI-GHXNOFRVSA-N -1 3 393.367 1.472 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NNc2ccc([N+](=O)[O-])cc2)cc(-c2nn[n-]n2)n1C ZINC000826235770 607711703 /nfs/dbraw/zinc/71/17/03/607711703.db2.gz QTOKMBIWMXBEBI-GHXNOFRVSA-N -1 3 393.367 1.472 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000826448757 607714986 /nfs/dbraw/zinc/71/49/86/607714986.db2.gz JXVZTAQJGZQDCP-UHFFFAOYSA-N -1 3 392.354 1.309 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000826448757 607714988 /nfs/dbraw/zinc/71/49/88/607714988.db2.gz JXVZTAQJGZQDCP-UHFFFAOYSA-N -1 3 392.354 1.309 20 50 GDGDHM CCn1c(=O)[nH]c2cc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)ccc2c1=O ZINC000825783144 607722478 /nfs/dbraw/zinc/72/24/78/607722478.db2.gz ZVNGDXLYMHKXLU-UHFFFAOYSA-N -1 3 392.379 1.059 20 50 GDGDHM CCn1c(=O)[nH]c2cc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)ccc2c1=O ZINC000825783144 607722480 /nfs/dbraw/zinc/72/24/80/607722480.db2.gz ZVNGDXLYMHKXLU-UHFFFAOYSA-N -1 3 392.379 1.059 20 50 GDGDHM CCc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825728374 607731151 /nfs/dbraw/zinc/73/11/51/607731151.db2.gz NUWPMGAAADYXQJ-UHFFFAOYSA-N -1 3 380.408 1.578 20 50 GDGDHM CCc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825728374 607731152 /nfs/dbraw/zinc/73/11/52/607731152.db2.gz NUWPMGAAADYXQJ-UHFFFAOYSA-N -1 3 380.408 1.578 20 50 GDGDHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NNC(=O)c1ncccc1C ZINC000826307954 607763560 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COc1ccc(C(=O)NNC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000737068433 944941867 /nfs/dbraw/zinc/94/18/67/944941867.db2.gz RNKVRULTEOLOAV-UHFFFAOYSA-N -1 3 383.368 1.350 20 50 GDGDHM COc1ccc(C(=O)NNC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000737068433 944941876 /nfs/dbraw/zinc/94/18/76/944941876.db2.gz RNKVRULTEOLOAV-UHFFFAOYSA-N -1 3 383.368 1.350 20 50 GDGDHM COc1ccc([C@@H](C)N(C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737072041 944943673 /nfs/dbraw/zinc/94/36/73/944943673.db2.gz IPTGHEBHNFWKRF-GFCCVEGCSA-N -1 3 395.423 1.923 20 50 GDGDHM COc1ccc([C@@H](C)N(C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737072041 944943676 /nfs/dbraw/zinc/94/36/76/944943676.db2.gz IPTGHEBHNFWKRF-GFCCVEGCSA-N -1 3 395.423 1.923 20 50 GDGDHM COc1ccc(CCNC(=S)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737090431 944957149 /nfs/dbraw/zinc/95/71/49/944957149.db2.gz ODDLJTVUHKGMBG-UHFFFAOYSA-N -1 3 397.464 1.227 20 50 GDGDHM COc1ccc(CCNC(=S)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737090431 944957152 /nfs/dbraw/zinc/95/71/52/944957152.db2.gz ODDLJTVUHKGMBG-UHFFFAOYSA-N -1 3 397.464 1.227 20 50 GDGDHM COc1ccc(O)c([C@H](C)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737106418 944959316 /nfs/dbraw/zinc/95/93/16/944959316.db2.gz SQPKPARNKGMWTP-JTQLQIEISA-N -1 3 397.395 1.286 20 50 GDGDHM COc1ccc(O)c([C@H](C)NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737106418 944959321 /nfs/dbraw/zinc/95/93/21/944959321.db2.gz SQPKPARNKGMWTP-JTQLQIEISA-N -1 3 397.395 1.286 20 50 GDGDHM COc1ccccc1CCN(C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737150309 944971131 /nfs/dbraw/zinc/97/11/31/944971131.db2.gz NLNPIYYVJZQCSB-UHFFFAOYSA-N -1 3 395.423 1.404 20 50 GDGDHM COc1ccccc1CCN(C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737150309 944971138 /nfs/dbraw/zinc/97/11/38/944971138.db2.gz NLNPIYYVJZQCSB-UHFFFAOYSA-N -1 3 395.423 1.404 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCc3c2cccc3O)cc(-c2nn[n-]n2)n1C ZINC000737211537 944986763 /nfs/dbraw/zinc/98/67/63/944986763.db2.gz CKSCGKNRFLREJI-WDBUWWRISA-N -1 3 389.419 1.930 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCCCn2ccnc2)cc(-c2nn[n-]n2)n1C ZINC000737212972 944997185 /nfs/dbraw/zinc/99/71/85/944997185.db2.gz OINJADHEVGJRTI-DHDCSXOGSA-N -1 3 379.428 1.214 20 50 GDGDHM Cc1c(Cl)cccc1OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737214965 945012799 /nfs/dbraw/zinc/01/27/99/945012799.db2.gz BXFBUNQGAWTXAU-UHFFFAOYSA-N -1 3 386.799 1.669 20 50 GDGDHM Cc1c(Cl)cccc1OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737214965 945012809 /nfs/dbraw/zinc/01/28/09/945012809.db2.gz BXFBUNQGAWTXAU-UHFFFAOYSA-N -1 3 386.799 1.669 20 50 GDGDHM Cc1ccc(NCC(=O)NNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737362442 945048379 /nfs/dbraw/zinc/04/83/79/945048379.db2.gz OYUWMPORYKOKEZ-UHFFFAOYSA-N -1 3 379.424 1.286 20 50 GDGDHM Cc1ccc(NCC(=O)NNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737362442 945048389 /nfs/dbraw/zinc/04/83/89/945048389.db2.gz OYUWMPORYKOKEZ-UHFFFAOYSA-N -1 3 379.424 1.286 20 50 GDGDHM CC=C(C=CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)CC ZINC000820832562 945566126 /nfs/dbraw/zinc/56/61/26/945566126.db2.gz LJDFNQVJSKDFSH-HRTDOOMSSA-N -1 3 384.396 1.083 20 50 GDGDHM CC=C(C=CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)CC ZINC000820832562 945566132 /nfs/dbraw/zinc/56/61/32/945566132.db2.gz LJDFNQVJSKDFSH-HRTDOOMSSA-N -1 3 384.396 1.083 20 50 GDGDHM CC[C@@H](CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820882050 945582000 /nfs/dbraw/zinc/58/20/00/945582000.db2.gz IPIUTQFHJMKVBV-LBPRGKRZSA-N -1 3 388.428 1.243 20 50 GDGDHM CC[C@@H](CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820882050 945582007 /nfs/dbraw/zinc/58/20/07/945582007.db2.gz IPIUTQFHJMKVBV-LBPRGKRZSA-N -1 3 388.428 1.243 20 50 GDGDHM CCC(CC)NC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000820898238 945585961 /nfs/dbraw/zinc/58/59/61/945585961.db2.gz WTIJABDRMICMJX-ZBQKXELDSA-N -1 3 399.455 1.657 20 50 GDGDHM CCC(CC)NC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000820898238 945585968 /nfs/dbraw/zinc/58/59/68/945585968.db2.gz WTIJABDRMICMJX-ZBQKXELDSA-N -1 3 399.455 1.657 20 50 GDGDHM CCCCCNC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821055490 945626235 /nfs/dbraw/zinc/62/62/35/945626235.db2.gz BFLAROMSKUVHOU-MLJKTZRHSA-N -1 3 399.455 1.659 20 50 GDGDHM CCCCCNC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821055490 945626245 /nfs/dbraw/zinc/62/62/45/945626245.db2.gz BFLAROMSKUVHOU-MLJKTZRHSA-N -1 3 399.455 1.659 20 50 GDGDHM CCS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821455045 945700299 /nfs/dbraw/zinc/70/02/99/945700299.db2.gz ISTKDFRMISBGTH-ZIAGYGMSSA-N -1 3 389.485 1.875 20 50 GDGDHM CCS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821455045 945700305 /nfs/dbraw/zinc/70/03/05/945700305.db2.gz ISTKDFRMISBGTH-ZIAGYGMSSA-N -1 3 389.485 1.875 20 50 GDGDHM CCn1nc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1=O ZINC000821566415 945717651 /nfs/dbraw/zinc/71/76/51/945717651.db2.gz CLNANONUEDEWKP-UHFFFAOYSA-N -1 3 394.317 1.219 20 50 GDGDHM CCn1nc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1=O ZINC000821566415 945717659 /nfs/dbraw/zinc/71/76/59/945717659.db2.gz CLNANONUEDEWKP-UHFFFAOYSA-N -1 3 394.317 1.219 20 50 GDGDHM CN(C)c1cccc(CN(C)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821614416 945745935 /nfs/dbraw/zinc/74/59/35/945745935.db2.gz FLCAGMBADYDDJV-UHFFFAOYSA-N -1 3 394.439 1.419 20 50 GDGDHM CN(C)c1cccc(CN(C)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821614416 945745941 /nfs/dbraw/zinc/74/59/41/945745941.db2.gz FLCAGMBADYDDJV-UHFFFAOYSA-N -1 3 394.439 1.419 20 50 GDGDHM CS(=O)(=O)c1ccccc1NNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821940958 945906067 /nfs/dbraw/zinc/90/60/67/945906067.db2.gz AMJIECPPOYNPNH-UHFFFAOYSA-N -1 3 387.425 1.097 20 50 GDGDHM CS(=O)(=O)c1ccccc1NNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821940958 945906078 /nfs/dbraw/zinc/90/60/78/945906078.db2.gz AMJIECPPOYNPNH-UHFFFAOYSA-N -1 3 387.425 1.097 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)[C@@H](C)C(=O)OC(C)C)cc(-c2nnn[n-]2)n1C ZINC000822020579 945923368 /nfs/dbraw/zinc/92/33/68/945923368.db2.gz FHWSJBQADWLKLS-FUEWVNAISA-N -1 3 385.428 1.219 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)[C@@H](C)C(=O)OC(C)C)cc(-c2nn[n-]n2)n1C ZINC000822020579 945923378 /nfs/dbraw/zinc/92/33/78/945923378.db2.gz FHWSJBQADWLKLS-FUEWVNAISA-N -1 3 385.428 1.219 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCCc2ccccn2)cc(-c2nnn[n-]2)n1C ZINC000822027404 945933209 /nfs/dbraw/zinc/93/32/09/945933209.db2.gz GWPMBCFNZZVEDO-XNTDXEJSSA-N -1 3 376.424 1.565 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCCc2ccccn2)cc(-c2nn[n-]n2)n1C ZINC000822027404 945933216 /nfs/dbraw/zinc/93/32/16/945933216.db2.gz GWPMBCFNZZVEDO-XNTDXEJSSA-N -1 3 376.424 1.565 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccsc2)cc(-c2nnn[n-]2)n1C ZINC000822029112 945951043 /nfs/dbraw/zinc/95/10/43/945951043.db2.gz VTTDVLDBAKIXNZ-XNISGLLXSA-N -1 3 383.437 1.332 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccsc2)cc(-c2nn[n-]n2)n1C ZINC000822029112 945951052 /nfs/dbraw/zinc/95/10/52/945951052.db2.gz VTTDVLDBAKIXNZ-XNISGLLXSA-N -1 3 383.437 1.332 20 50 GDGDHM Cc1cc(Cl)ccc1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822201984 945989046 /nfs/dbraw/zinc/98/90/46/945989046.db2.gz FLYLGUKSHNOVBL-UHFFFAOYSA-N -1 3 386.799 1.669 20 50 GDGDHM Cc1nc(CCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)sc1C ZINC000822441075 946092641 /nfs/dbraw/zinc/09/26/41/946092641.db2.gz RSVDXUNZRGXCGM-UHFFFAOYSA-N -1 3 386.441 1.127 20 50 GDGDHM Cc1nc(CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)sc1C ZINC000822441075 946092653 /nfs/dbraw/zinc/09/26/53/946092653.db2.gz RSVDXUNZRGXCGM-UHFFFAOYSA-N -1 3 386.441 1.127 20 50 GDGDHM N#Cc1ccccc1OCC(=O)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000822842620 946200786 /nfs/dbraw/zinc/20/07/86/946200786.db2.gz QRPHFKLWUHKZGK-UHFFFAOYSA-N -1 3 387.403 1.974 20 50 GDGDHM N#Cc1ccccc1OCC(=O)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000822842620 946200799 /nfs/dbraw/zinc/20/07/99/946200799.db2.gz QRPHFKLWUHKZGK-UHFFFAOYSA-N -1 3 387.403 1.974 20 50 GDGDHM N#Cc1cccc(C(=O)NNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822837128 946200997 /nfs/dbraw/zinc/20/09/97/946200997.db2.gz GCSUOATZUSXCJI-UHFFFAOYSA-N -1 3 380.343 1.022 20 50 GDGDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NNC(=O)Cc1ccncc1 ZINC000822955319 946233951 /nfs/dbraw/zinc/23/39/51/946233951.db2.gz PSVPERNFDZOVCR-UHFFFAOYSA-N -1 3 395.423 1.201 20 50 GDGDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NNC(=O)Cc1ccncc1 ZINC000822955319 946233961 /nfs/dbraw/zinc/23/39/61/946233961.db2.gz PSVPERNFDZOVCR-UHFFFAOYSA-N -1 3 395.423 1.201 20 50 GDGDHM O=C(CCc1nnc(C2CCCC2)o1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822986793 946247612 /nfs/dbraw/zinc/24/76/12/946247612.db2.gz LKNAYRSOYYZAME-UHFFFAOYSA-N -1 3 396.411 1.301 20 50 GDGDHM O=C(CCc1nnc(C2CCCC2)o1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822986793 946247619 /nfs/dbraw/zinc/24/76/19/946247619.db2.gz LKNAYRSOYYZAME-UHFFFAOYSA-N -1 3 396.411 1.301 20 50 GDGDHM O=C(CN1CCC[C@H]1c1ccsc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822996348 946254412 /nfs/dbraw/zinc/25/44/12/946254412.db2.gz CVYOMYLALFPVPJ-HNNXBMFYSA-N -1 3 397.464 1.526 20 50 GDGDHM O=C(CN1CCC[C@H]1c1ccsc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822996348 946254423 /nfs/dbraw/zinc/25/44/23/946254423.db2.gz CVYOMYLALFPVPJ-HNNXBMFYSA-N -1 3 397.464 1.526 20 50 GDGDHM O=C(CN1CCC[C@H]1c1ccsc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822996190 946254689 /nfs/dbraw/zinc/25/46/89/946254689.db2.gz ANTZFMPGAWHGTJ-HNNXBMFYSA-N -1 3 397.464 1.526 20 50 GDGDHM O=C(CN1CCC[C@H]1c1ccsc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822996190 946254698 /nfs/dbraw/zinc/25/46/98/946254698.db2.gz ANTZFMPGAWHGTJ-HNNXBMFYSA-N -1 3 397.464 1.526 20 50 GDGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823049508 946292874 /nfs/dbraw/zinc/29/28/74/946292874.db2.gz FIQBWSWUHMXSAF-HUUCEWRRSA-N -1 3 399.455 1.545 20 50 GDGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823049508 946292884 /nfs/dbraw/zinc/29/28/84/946292884.db2.gz FIQBWSWUHMXSAF-HUUCEWRRSA-N -1 3 399.455 1.545 20 50 GDGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=C[C@@H]1CCOc2ccccc21 ZINC000823049700 946293708 /nfs/dbraw/zinc/29/37/08/946293708.db2.gz IOJKFRORCSPFNY-ZDUSSCGKSA-N -1 3 378.392 1.914 20 50 GDGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=C[C@@H]1CCOc2ccccc21 ZINC000823049700 946293715 /nfs/dbraw/zinc/29/37/15/946293715.db2.gz IOJKFRORCSPFNY-ZDUSSCGKSA-N -1 3 378.392 1.914 20 50 GDGDHM O=C(CSc1ncc2ccccn21)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823070898 946304031 /nfs/dbraw/zinc/30/40/31/946304031.db2.gz UJHNCAXVQBZFBX-UHFFFAOYSA-N -1 3 394.420 1.068 20 50 GDGDHM O=C(CSc1ncc2ccccn21)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823070898 946304037 /nfs/dbraw/zinc/30/40/37/946304037.db2.gz UJHNCAXVQBZFBX-UHFFFAOYSA-N -1 3 394.420 1.068 20 50 GDGDHM C[C@H]1COc2ccccc2CN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825007177 947043731 /nfs/dbraw/zinc/04/37/31/947043731.db2.gz WQWRQEVSXWKYLL-LBPRGKRZSA-N -1 3 393.407 1.504 20 50 GDGDHM C[C@H]1COc2ccccc2CN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825007177 947043741 /nfs/dbraw/zinc/04/37/41/947043741.db2.gz WQWRQEVSXWKYLL-LBPRGKRZSA-N -1 3 393.407 1.504 20 50 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GDGDHM O=C(NNC(=S)Nc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000738134858 945223579 /nfs/dbraw/zinc/22/35/79/945223579.db2.gz WEPMSPUTVFZIIH-UHFFFAOYSA-N -1 3 383.393 1.227 20 50 GDGDHM O=C(NNC(=S)Nc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000738134858 945223583 /nfs/dbraw/zinc/22/35/83/945223583.db2.gz WEPMSPUTVFZIIH-UHFFFAOYSA-N -1 3 383.393 1.227 20 50 GDGDHM O=C(NNC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738136341 945232966 /nfs/dbraw/zinc/23/29/66/945232966.db2.gz JZDKVIWEMCABBL-NSHDSACASA-N -1 3 383.334 1.495 20 50 GDGDHM O=C(NNC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738136341 945232971 /nfs/dbraw/zinc/23/29/71/945232971.db2.gz JZDKVIWEMCABBL-NSHDSACASA-N -1 3 383.334 1.495 20 50 GDGDHM O=C(NNc1nccnc1Cl)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738138329 945249856 /nfs/dbraw/zinc/24/98/56/945249856.db2.gz ZCEAXXUFUMZPCJ-GFCCVEGCSA-N -1 3 385.819 1.422 20 50 GDGDHM CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819939431 945316936 /nfs/dbraw/zinc/31/69/36/945316936.db2.gz BQFYXLBBJXADJB-UHFFFAOYSA-N -1 3 392.395 1.164 20 50 GDGDHM CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819939431 945316944 /nfs/dbraw/zinc/31/69/44/945316944.db2.gz BQFYXLBBJXADJB-UHFFFAOYSA-N -1 3 392.395 1.164 20 50 GDGDHM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820044360 945336557 /nfs/dbraw/zinc/33/65/57/945336557.db2.gz GEKYCGFDFSHCLK-GJZGRUSLSA-N -1 3 387.444 1.262 20 50 GDGDHM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820044360 945336567 /nfs/dbraw/zinc/33/65/67/945336567.db2.gz GEKYCGFDFSHCLK-GJZGRUSLSA-N -1 3 387.444 1.262 20 50 GDGDHM CC(C)CCC(=O)NCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820067103 945341280 /nfs/dbraw/zinc/34/12/80/945341280.db2.gz CSXJRJJWQVXRQC-UHFFFAOYSA-N -1 3 399.377 1.881 20 50 GDGDHM CC(C)CCC(=O)NCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820067103 945341290 /nfs/dbraw/zinc/34/12/90/945341290.db2.gz CSXJRJJWQVXRQC-UHFFFAOYSA-N -1 3 399.377 1.881 20 50 GDGDHM CC(=NNC(=O)c1ccc[nH]1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735447968 944655220 /nfs/dbraw/zinc/65/52/20/944655220.db2.gz NEXUFMCVHLJGAA-UHFFFAOYSA-N -1 3 375.396 1.843 20 50 GDGDHM CC(C)(C(=O)NNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735581619 944673357 /nfs/dbraw/zinc/67/33/57/944673357.db2.gz ZDUPXYNPHGZBEJ-UHFFFAOYSA-N -1 3 378.436 1.925 20 50 GDGDHM CC(C)(C(=O)NNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735581619 944673363 /nfs/dbraw/zinc/67/33/63/944673363.db2.gz ZDUPXYNPHGZBEJ-UHFFFAOYSA-N -1 3 378.436 1.925 20 50 GDGDHM CC(C)(CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000735670137 944687475 /nfs/dbraw/zinc/68/74/75/944687475.db2.gz FHTVFUBCNYPMNS-UHFFFAOYSA-N -1 3 397.414 1.928 20 50 GDGDHM CC(C)(CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000735670137 944687484 /nfs/dbraw/zinc/68/74/84/944687484.db2.gz FHTVFUBCNYPMNS-UHFFFAOYSA-N -1 3 397.414 1.928 20 50 GDGDHM CC(C)(CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735670318 944689768 /nfs/dbraw/zinc/68/97/68/944689768.db2.gz NGQICIRPYFADTE-UHFFFAOYSA-N -1 3 385.453 1.850 20 50 GDGDHM CC(C)(CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735670318 944689776 /nfs/dbraw/zinc/68/97/76/944689776.db2.gz NGQICIRPYFADTE-UHFFFAOYSA-N -1 3 385.453 1.850 20 50 GDGDHM C[C@H](CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1 ZINC000735977930 944730659 /nfs/dbraw/zinc/73/06/59/944730659.db2.gz XJMSGCRPBMAKGD-GFCCVEGCSA-N -1 3 378.392 1.537 20 50 GDGDHM C[C@H](CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1 ZINC000735977930 944730669 /nfs/dbraw/zinc/73/06/69/944730669.db2.gz XJMSGCRPBMAKGD-GFCCVEGCSA-N -1 3 378.392 1.537 20 50 GDGDHM CC(CS(=O)(=O)c1ccccc1)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736040811 944735569 /nfs/dbraw/zinc/73/55/69/944735569.db2.gz RMAZPALUBPEYDX-UHFFFAOYSA-N -1 3 384.421 1.446 20 50 GDGDHM CC(CS(=O)(=O)c1ccccc1)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736040811 944735579 /nfs/dbraw/zinc/73/55/79/944735579.db2.gz RMAZPALUBPEYDX-UHFFFAOYSA-N -1 3 384.421 1.446 20 50 GDGDHM C[C@@H](Cc1ccccc1)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736059863 944737792 /nfs/dbraw/zinc/73/77/92/944737792.db2.gz XDUQQSGKMDBUBR-ZDUSSCGKSA-N -1 3 380.408 1.272 20 50 GDGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736177792 944753505 /nfs/dbraw/zinc/75/35/05/944753505.db2.gz VEVQSSMYLMRJTF-LLVKDONJSA-N -1 3 394.370 1.571 20 50 GDGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736177792 944753513 /nfs/dbraw/zinc/75/35/13/944753513.db2.gz VEVQSSMYLMRJTF-LLVKDONJSA-N -1 3 394.370 1.571 20 50 GDGDHM CCC(=O)NNC(=O)[C@@H](C)Sc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC000736304040 944794533 /nfs/dbraw/zinc/79/45/33/944794533.db2.gz NFNGLZBDLKUTGU-SECBINFHSA-N -1 3 375.458 1.097 20 50 GDGDHM CCC(=O)NNC(=O)[C@@H](C)Sc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC000736304040 944794543 /nfs/dbraw/zinc/79/45/43/944794543.db2.gz NFNGLZBDLKUTGU-SECBINFHSA-N -1 3 375.458 1.097 20 50 GDGDHM COC(=O)c1ccc2[nH]cc(C=NNC(=O)c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000736949336 944917390 /nfs/dbraw/zinc/91/73/90/944917390.db2.gz RGANADIGEKGRGC-UHFFFAOYSA-N -1 3 389.375 1.899 20 50 GDGDHM COC(=O)c1ccc2[nH]cc(C=NNC(=O)c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000736949336 944917400 /nfs/dbraw/zinc/91/74/00/944917400.db2.gz RGANADIGEKGRGC-UHFFFAOYSA-N -1 3 389.375 1.899 20 50 GDGDHM COc1cc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc2c1OCCO2 ZINC000737045067 944939765 /nfs/dbraw/zinc/93/97/65/944939765.db2.gz WAPIGQIDYPINTH-UHFFFAOYSA-N -1 3 380.364 1.410 20 50 GDGDHM COc1cc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc2c1OCCO2 ZINC000737045067 944939769 /nfs/dbraw/zinc/93/97/69/944939769.db2.gz WAPIGQIDYPINTH-UHFFFAOYSA-N -1 3 380.364 1.410 20 50 GDGDHM COc1ccc(C=NNC(=O)c2cc(Br)c[nH]2)cc1-c1nnn[n-]1 ZINC000737081374 944953147 /nfs/dbraw/zinc/95/31/47/944953147.db2.gz NTMNYDZNRPBKQS-UHFFFAOYSA-N -1 3 390.201 1.730 20 50 GDGDHM COc1ccc(C=NNC(=O)c2cc(Br)c[nH]2)cc1-c1nn[n-]n1 ZINC000737081374 944953160 /nfs/dbraw/zinc/95/31/60/944953160.db2.gz NTMNYDZNRPBKQS-UHFFFAOYSA-N -1 3 390.201 1.730 20 50 GDGDHM COc1ccc(C=NNC(=O)Cc2nc3ccccc3n2C)cc1-c1nnn[n-]1 ZINC000737082548 944955118 /nfs/dbraw/zinc/95/51/18/944955118.db2.gz XBYSUPKUIPOISE-UHFFFAOYSA-N -1 3 390.407 1.455 20 50 GDGDHM COc1ccc(C=NNC(=O)Cc2nc3ccccc3n2C)cc1-c1nn[n-]n1 ZINC000737082548 944955126 /nfs/dbraw/zinc/95/51/26/944955126.db2.gz XBYSUPKUIPOISE-UHFFFAOYSA-N -1 3 390.407 1.455 20 50 GDGDHM COc1ccc(Cl)cc1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737097135 944957240 /nfs/dbraw/zinc/95/72/40/944957240.db2.gz IWOONGGCMZEJIU-UHFFFAOYSA-N -1 3 386.799 1.532 20 50 GDGDHM COc1ccc(Cl)cc1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737097135 944957246 /nfs/dbraw/zinc/95/72/46/944957246.db2.gz IWOONGGCMZEJIU-UHFFFAOYSA-N -1 3 386.799 1.532 20 50 GDGDHM COc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737107714 944960726 /nfs/dbraw/zinc/96/07/26/944960726.db2.gz GBBHSCKLFQCJRR-NSHDSACASA-N -1 3 382.380 1.104 20 50 GDGDHM COc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737107714 944960730 /nfs/dbraw/zinc/96/07/30/944960730.db2.gz GBBHSCKLFQCJRR-NSHDSACASA-N -1 3 382.380 1.104 20 50 GDGDHM COc1cccc(SCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737140504 944967564 /nfs/dbraw/zinc/96/75/64/944967564.db2.gz DQDOBITYCCMLDC-UHFFFAOYSA-N -1 3 384.421 1.429 20 50 GDGDHM COc1cccc(SCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737140504 944967571 /nfs/dbraw/zinc/96/75/71/944967571.db2.gz DQDOBITYCCMLDC-UHFFFAOYSA-N -1 3 384.421 1.429 20 50 GDGDHM COc1ccccc1[C@H](C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737142416 944968784 /nfs/dbraw/zinc/96/87/84/944968784.db2.gz OERNCEHXSJEIJR-GFCCVEGCSA-N -1 3 380.408 1.830 20 50 GDGDHM COc1ccccc1[C@H](C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737142416 944968788 /nfs/dbraw/zinc/96/87/88/944968788.db2.gz OERNCEHXSJEIJR-GFCCVEGCSA-N -1 3 380.408 1.830 20 50 GDGDHM CS[C@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737170205 944974038 /nfs/dbraw/zinc/97/40/38/944974038.db2.gz IECZNCGRCABVML-STQMWFEESA-N -1 3 375.458 1.485 20 50 GDGDHM CS[C@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737170205 944974041 /nfs/dbraw/zinc/97/40/41/944974041.db2.gz IECZNCGRCABVML-STQMWFEESA-N -1 3 375.458 1.485 20 50 GDGDHM Cc1cc(C(=O)NNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000737236302 945018000 /nfs/dbraw/zinc/01/80/00/945018000.db2.gz HOIBXBLKUCUTJJ-MRXNPFEDSA-N -1 3 395.423 1.507 20 50 GDGDHM Cc1cccc(OCCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000737400923 945060645 /nfs/dbraw/zinc/06/06/45/945060645.db2.gz HCOWRDUFNQWOCH-UHFFFAOYSA-N -1 3 380.408 1.714 20 50 GDGDHM Cc1cccc(OCCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000737400923 945060657 /nfs/dbraw/zinc/06/06/57/945060657.db2.gz HCOWRDUFNQWOCH-UHFFFAOYSA-N -1 3 380.408 1.714 20 50 GDGDHM CC(CCO)=NNC(=O)COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820240510 945392394 /nfs/dbraw/zinc/39/23/94/945392394.db2.gz CFBRSPOTUDAOAM-UHFFFAOYSA-N -1 3 380.408 1.787 20 50 GDGDHM CC(CCO)=NNC(=O)COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820240510 945392400 /nfs/dbraw/zinc/39/24/00/945392400.db2.gz CFBRSPOTUDAOAM-UHFFFAOYSA-N -1 3 380.408 1.787 20 50 GDGDHM C[C@@H](NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000820420539 945447267 /nfs/dbraw/zinc/44/72/67/945447267.db2.gz SOFSOYGLOMTXDU-LLVKDONJSA-N -1 3 399.842 1.632 20 50 GDGDHM CC1=C(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C(=O)OC1(C)C ZINC000820637502 945504945 /nfs/dbraw/zinc/50/49/45/945504945.db2.gz YGKKXPKOHFSIFX-UHFFFAOYSA-N -1 3 396.329 1.981 20 50 GDGDHM CC1=C(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C(=O)OC1(C)C ZINC000820637502 945504953 /nfs/dbraw/zinc/50/49/53/945504953.db2.gz YGKKXPKOHFSIFX-UHFFFAOYSA-N -1 3 396.329 1.981 20 50 GDGDHM CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939860 945593152 /nfs/dbraw/zinc/59/31/52/945593152.db2.gz ZKZHTTSVTBPFJT-HNNXBMFYSA-N -1 3 380.408 1.794 20 50 GDGDHM CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939860 945593160 /nfs/dbraw/zinc/59/31/60/945593160.db2.gz ZKZHTTSVTBPFJT-HNNXBMFYSA-N -1 3 380.408 1.794 20 50 GDGDHM CCO[C@H](CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C(C)C ZINC000821350956 945677581 /nfs/dbraw/zinc/67/75/81/945677581.db2.gz HNNURFKYHOINBQ-BAPRJRNISA-N -1 3 385.472 1.988 20 50 GDGDHM CCO[C@H](CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(C)C ZINC000821350956 945677587 /nfs/dbraw/zinc/67/75/87/945677587.db2.gz HNNURFKYHOINBQ-BAPRJRNISA-N -1 3 385.472 1.988 20 50 GDGDHM CCS[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821455433 945700140 /nfs/dbraw/zinc/70/01/40/945700140.db2.gz KHAYKATZTNDFSF-KGLIPLIRSA-N -1 3 389.485 1.875 20 50 GDGDHM CCS[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821455433 945700145 /nfs/dbraw/zinc/70/01/45/945700145.db2.gz KHAYKATZTNDFSF-KGLIPLIRSA-N -1 3 389.485 1.875 20 50 GDGDHM CN(C)c1ccc(NC(=O)NNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000821589196 945726752 /nfs/dbraw/zinc/72/67/52/945726752.db2.gz BNVBUQJCWJVNKX-GHXNOFRVSA-N -1 3 392.423 1.799 20 50 GDGDHM CN(C)c1ccc(NC(=O)NNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000821589196 945726759 /nfs/dbraw/zinc/72/67/59/945726759.db2.gz BNVBUQJCWJVNKX-GHXNOFRVSA-N -1 3 392.423 1.799 20 50 GDGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccccc1Cl ZINC000821593977 945732113 /nfs/dbraw/zinc/73/21/13/945732113.db2.gz SDYPUJYNUPLMMJ-UHFFFAOYSA-N -1 3 399.842 1.413 20 50 GDGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccccc1Cl ZINC000821593977 945732120 /nfs/dbraw/zinc/73/21/20/945732120.db2.gz SDYPUJYNUPLMMJ-UHFFFAOYSA-N -1 3 399.842 1.413 20 50 GDGDHM COC(=O)[C@H](NNC(=O)c1c[nH]c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821645452 945771785 /nfs/dbraw/zinc/77/17/85/945771785.db2.gz ZYRPMSCRUBVCBY-MRXNPFEDSA-N -1 3 391.391 1.497 20 50 GDGDHM COC(=O)[C@H](NNC(=O)c1c[nH]c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821645452 945771792 /nfs/dbraw/zinc/77/17/92/945771792.db2.gz ZYRPMSCRUBVCBY-MRXNPFEDSA-N -1 3 391.391 1.497 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCS[C@@H]3COCC[C@H]32)cc(-c2nnn[n-]2)n1C ZINC000822028296 945940899 /nfs/dbraw/zinc/94/08/99/945940899.db2.gz NAUPASLFJDDFAI-DCAYXJQRSA-N -1 3 399.480 1.154 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCS[C@@H]3COCC[C@H]32)cc(-c2nn[n-]n2)n1C ZINC000822028296 945940906 /nfs/dbraw/zinc/94/09/06/945940906.db2.gz NAUPASLFJDDFAI-DCAYXJQRSA-N -1 3 399.480 1.154 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC3(C2)CCOCC3)cc(-c2nnn[n-]2)n1C ZINC000822028439 945944990 /nfs/dbraw/zinc/94/49/90/945944990.db2.gz OESMUDJBBQOIGA-OQLLNIDSSA-N -1 3 381.440 1.450 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC3(C2)CCOCC3)cc(-c2nn[n-]n2)n1C ZINC000822028439 945945007 /nfs/dbraw/zinc/94/50/07/945945007.db2.gz OESMUDJBBQOIGA-OQLLNIDSSA-N -1 3 381.440 1.450 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cnn(CC3CC3)c2)cc(-c2nn[n-]n2)n1C ZINC000822028774 945947485 /nfs/dbraw/zinc/94/74/85/945947485.db2.gz SAIQGFMRCVWYND-LHHJGKSTSA-N -1 3 377.412 1.666 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCCc3[nH]ccc32)cc(-c2nnn[n-]2)n1C 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CCc1ccc(N2C[C@H](C(=O)NNc3cccc(-c4nn[n-]n4)c3)CC2=O)cc1 ZINC000825712219 607722540 /nfs/dbraw/zinc/72/25/40/607722540.db2.gz NYEOFTRWZFDYRT-OAHLLOKOSA-N -1 3 391.435 1.925 20 50 GDGDHM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824104105 607725112 /nfs/dbraw/zinc/72/51/12/607725112.db2.gz NRGGPQOTVUBRNR-SFHVURJKSA-N -1 3 387.444 1.957 20 50 GDGDHM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824104105 607725114 /nfs/dbraw/zinc/72/51/14/607725114.db2.gz NRGGPQOTVUBRNR-SFHVURJKSA-N -1 3 387.444 1.957 20 50 GDGDHM Cc1ccc(N2C[C@H](C(=O)NNc3cccc(-c4nnn[n-]4)c3)CC2=O)cc1F ZINC000826289827 607728520 /nfs/dbraw/zinc/72/85/20/607728520.db2.gz OPXZNOFIKRULOW-CYBMUJFWSA-N -1 3 395.398 1.810 20 50 GDGDHM Cc1ccc(N2C[C@H](C(=O)NNc3cccc(-c4nn[n-]n4)c3)CC2=O)cc1F ZINC000826289827 607728522 /nfs/dbraw/zinc/72/85/22/607728522.db2.gz OPXZNOFIKRULOW-CYBMUJFWSA-N -1 3 395.398 1.810 20 50 GDGDHM CN(C)C(=O)COc1ccccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825845134 607729625 /nfs/dbraw/zinc/72/96/25/607729625.db2.gz DGFRLSDTMBFVCA-UHFFFAOYSA-N -1 3 381.396 1.091 20 50 GDGDHM CN(C)C(=O)COc1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825845134 607729627 /nfs/dbraw/zinc/72/96/27/607729627.db2.gz DGFRLSDTMBFVCA-UHFFFAOYSA-N -1 3 381.396 1.091 20 50 GDGDHM CCCc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)[nH]c(C)c1C(=O)OC ZINC000825348241 607731003 /nfs/dbraw/zinc/73/10/03/607731003.db2.gz FAYARIIKAFOKQI-UHFFFAOYSA-N -1 3 383.412 1.999 20 50 GDGDHM CCCc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)[nH]c(C)c1C(=O)OC ZINC000825348241 607731004 /nfs/dbraw/zinc/73/10/04/607731004.db2.gz FAYARIIKAFOKQI-UHFFFAOYSA-N -1 3 383.412 1.999 20 50 GDGDHM C[C@H](CN(CC(=O)NNC(=O)c1cccs1)Cc1ccccc1)C(=O)[O-] ZINC000833515923 605239888 /nfs/dbraw/zinc/23/98/88/605239888.db2.gz AOGHKFRDPLVMQE-CYBMUJFWSA-N -1 3 375.450 1.732 20 50 GDGDHM Cc1noc(C)c1[C@@H](C)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826337933 607757817 /nfs/dbraw/zinc/75/78/17/607757817.db2.gz GDTSBAKSMWFKLA-VIFPVBQESA-N -1 3 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381.783 1.968 20 50 GDGDHM C#Cc1ccc(NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001573290841 946912865 /nfs/dbraw/zinc/91/28/65/946912865.db2.gz QXSOXSIALAUCDM-UHFFFAOYSA-N -1 3 381.783 1.968 20 50 GDGDHM CCC(CC)[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825097820 947076122 /nfs/dbraw/zinc/07/61/22/947076122.db2.gz ZPXURFPHGBOQQK-NSHDSACASA-N -1 3 388.428 1.243 20 50 GDGDHM CCC(CC)[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825097820 947076137 /nfs/dbraw/zinc/07/61/37/947076137.db2.gz ZPXURFPHGBOQQK-NSHDSACASA-N -1 3 388.428 1.243 20 50 GDGDHM COc1cccc(CC(C)=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826214939 947629632 /nfs/dbraw/zinc/62/96/32/947629632.db2.gz BKOJSRXJWSPVOW-UHFFFAOYSA-N -1 3 381.396 1.384 20 50 GDGDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001575189012 952452805 /nfs/dbraw/zinc/45/28/05/952452805.db2.gz MDVXJBQEZWAMHH-GFCCVEGCSA-N -1 3 375.392 1.378 20 50 GDGDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001575189012 952452809 /nfs/dbraw/zinc/45/28/09/952452809.db2.gz MDVXJBQEZWAMHH-GFCCVEGCSA-N -1 3 375.392 1.378 20 50 GDGDHM O=C([O-])c1ccc(O)c(C=NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 ZINC000739243640 978623705 /nfs/dbraw/zinc/62/37/05/978623705.db2.gz IOGARLZCMXBQGU-UHFFFAOYSA-N -1 3 396.447 1.753 20 50 GDGDHM CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NNc3ccc(CC(=O)[O-])cc3)cc21 ZINC001598243419 990990806 /nfs/dbraw/zinc/99/08/06/990990806.db2.gz WBMQDCBEASBWAE-UHFFFAOYSA-N -1 3 397.435 1.688 20 50 GDGDHM Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NNc2cccc(F)c2C(=O)[O-])cn1 ZINC001598578675 993311786 /nfs/dbraw/zinc/31/17/86/993311786.db2.gz LFVOWKJROXXCOD-CHWSQXEVSA-N -1 3 375.404 1.436 20 50 GDGDHM Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NNc2cccc(F)c2C(=O)[O-])cn1 ZINC001598578682 993312123 /nfs/dbraw/zinc/31/21/23/993312123.db2.gz LFVOWKJROXXCOD-STQMWFEESA-N -1 3 375.404 1.436 20 50 GDGDHM CN1CCC(=O)Nc2cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826022975 607343150 /nfs/dbraw/zinc/34/31/50/607343150.db2.gz UNYXVCUKLRNRAL-UHFFFAOYSA-N -1 3 378.396 1.402 20 50 GDGDHM CC1(C)CC(=O)c2cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c(=O)[nH]c2C1 ZINC000824788950 607344288 /nfs/dbraw/zinc/34/42/88/607344288.db2.gz DUSNVUXFICMVJE-UHFFFAOYSA-N -1 3 393.407 1.879 20 50 GDGDHM O=C(C[C@H](c1ccccc1)N1CCOC1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404196 607348213 /nfs/dbraw/zinc/34/82/13/607348213.db2.gz RSXZTIBGSLHWMH-MRXNPFEDSA-N -1 3 393.407 1.893 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000826446708 607347044 /nfs/dbraw/zinc/34/70/44/607347044.db2.gz VNGQKEBMDPSDNA-UHFFFAOYSA-N -1 3 376.380 1.493 20 50 GDGDHM Cc1nnnn1C(=Cc1ccccc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826338510 607349366 /nfs/dbraw/zinc/34/93/66/607349366.db2.gz YAARZYJPIFGXHN-WJDWOHSUSA-N -1 3 388.395 1.303 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000826446346 607349584 /nfs/dbraw/zinc/34/95/84/607349584.db2.gz IIVLKZUZUIKNLB-HNNXBMFYSA-N -1 3 392.423 1.257 20 50 GDGDHM O=C(COc1cccc(N2CCCC2=O)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826418505 607352944 /nfs/dbraw/zinc/35/29/44/607352944.db2.gz JZQFIVYAPCGBJX-UHFFFAOYSA-N -1 3 393.407 1.516 20 50 GDGDHM Cc1nn(C)c2nc(C)c(CC(=O)NNc3ccc(-c4nn[n-]n4)cc3)c(C)c12 ZINC000826328319 607353188 /nfs/dbraw/zinc/35/31/88/607353188.db2.gz NHMVKFWOCFCPLA-UHFFFAOYSA-N -1 3 391.439 1.759 20 50 GDGDHM Cc1cc(NC(=O)C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)no1 ZINC000826269157 607395032 /nfs/dbraw/zinc/39/50/32/607395032.db2.gz BYABRVMLLDGDOA-UHFFFAOYSA-N -1 3 396.289 1.264 20 50 GDGDHM Cc1cc(NC(=O)C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)no1 ZINC000826269157 607395034 /nfs/dbraw/zinc/39/50/34/607395034.db2.gz BYABRVMLLDGDOA-UHFFFAOYSA-N -1 3 396.289 1.264 20 50 GDGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H](O)C1CCOCC1 ZINC000826446466 607395533 /nfs/dbraw/zinc/39/55/33/607395533.db2.gz MQFKDUWCBQCOAU-LBPRGKRZSA-N -1 3 386.334 1.116 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H](O)C1CCOCC1 ZINC000826446466 607395535 /nfs/dbraw/zinc/39/55/35/607395535.db2.gz MQFKDUWCBQCOAU-LBPRGKRZSA-N -1 3 386.334 1.116 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNc1ccc(OC(F)F)cc1 ZINC000826417591 607397029 /nfs/dbraw/zinc/39/70/29/607397029.db2.gz WXFIEQIMMSLWOS-UHFFFAOYSA-N -1 3 376.323 1.990 20 50 GDGDHM COc1ccc(NCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826210143 607455626 /nfs/dbraw/zinc/45/56/26/607455626.db2.gz GEMNLPBSVQSDKB-UHFFFAOYSA-N -1 3 381.396 1.057 20 50 GDGDHM COc1ccc(NCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826210143 607455627 /nfs/dbraw/zinc/45/56/27/607455627.db2.gz GEMNLPBSVQSDKB-UHFFFAOYSA-N -1 3 381.396 1.057 20 50 GDGDHM Cc1c([N+](=O)[O-])cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826243115 607463372 /nfs/dbraw/zinc/46/33/72/607463372.db2.gz UWBNGDQSGLVGAA-UHFFFAOYSA-N -1 3 384.312 1.748 20 50 GDGDHM Cc1c([N+](=O)[O-])cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826243115 607463373 /nfs/dbraw/zinc/46/33/73/607463373.db2.gz UWBNGDQSGLVGAA-UHFFFAOYSA-N -1 3 384.312 1.748 20 50 GDGDHM O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826445241 607683531 /nfs/dbraw/zinc/68/35/31/607683531.db2.gz LWYDTSAJHIXAMT-UHFFFAOYSA-N -1 3 385.453 1.990 20 50 GDGDHM O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445241 607683533 /nfs/dbraw/zinc/68/35/33/607683533.db2.gz LWYDTSAJHIXAMT-UHFFFAOYSA-N -1 3 385.453 1.990 20 50 GDGDHM CC(C)[C@H](NC(=O)c1cccs1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824198251 607713166 /nfs/dbraw/zinc/71/31/66/607713166.db2.gz AHTFIAQGMGMLKW-AWEZNQCLSA-N -1 3 385.453 1.826 20 50 GDGDHM CC(C)[C@H](NC(=O)c1cccs1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824198251 607713168 /nfs/dbraw/zinc/71/31/68/607713168.db2.gz AHTFIAQGMGMLKW-AWEZNQCLSA-N -1 3 385.453 1.826 20 50 GDGDHM O=C(COc1cccc(NC(=O)C2CC2)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826418851 607717761 /nfs/dbraw/zinc/71/77/61/607717761.db2.gz YWIJIZRVVBKUAV-UHFFFAOYSA-N -1 3 393.407 1.737 20 50 GDGDHM O=C(COc1cccc(NC(=O)C2CC2)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826418851 607717763 /nfs/dbraw/zinc/71/77/63/607717763.db2.gz YWIJIZRVVBKUAV-UHFFFAOYSA-N -1 3 393.407 1.737 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnnn1-c1ccccc1Cl ZINC000826449355 607721523 /nfs/dbraw/zinc/72/15/23/607721523.db2.gz OHWNEHISGIKIGS-UHFFFAOYSA-N -1 3 381.787 1.858 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnnn1-c1ccccc1Cl ZINC000826449355 607721525 /nfs/dbraw/zinc/72/15/25/607721525.db2.gz OHWNEHISGIKIGS-UHFFFAOYSA-N -1 3 381.787 1.858 20 50 GDGDHM CCCS(=O)(=O)c1ccccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825342533 607729233 /nfs/dbraw/zinc/72/92/33/607729233.db2.gz UKVBOECWAMEUFE-UHFFFAOYSA-N -1 3 386.437 1.807 20 50 GDGDHM CCCS(=O)(=O)c1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825342533 607729235 /nfs/dbraw/zinc/72/92/35/607729235.db2.gz UKVBOECWAMEUFE-UHFFFAOYSA-N -1 3 386.437 1.807 20 50 GDGDHM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824108203 607732237 /nfs/dbraw/zinc/73/22/37/607732237.db2.gz CLWPAVXNWYTMJM-LBPRGKRZSA-N -1 3 391.457 1.620 20 50 GDGDHM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824108203 607732239 /nfs/dbraw/zinc/73/22/39/607732239.db2.gz CLWPAVXNWYTMJM-LBPRGKRZSA-N -1 3 391.457 1.620 20 50 GDGDHM COc1ccc(-n2nnc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)c2C)cc1 ZINC000826186626 607733093 /nfs/dbraw/zinc/73/30/93/607733093.db2.gz CURQYCPKKGZHKO-UHFFFAOYSA-N -1 3 391.395 1.521 20 50 GDGDHM COc1ccc(-n2nnc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c2C)cc1 ZINC000826186626 607733095 /nfs/dbraw/zinc/73/30/95/607733095.db2.gz CURQYCPKKGZHKO-UHFFFAOYSA-N -1 3 391.395 1.521 20 50 GDGDHM CCCN(CC(=O)NNC(=O)c1cccc(C#N)c1)C1CCN(C(=O)[O-])CC1 ZINC000833852950 606092354 /nfs/dbraw/zinc/09/23/54/606092354.db2.gz FKRAXGAAMLFJKI-UHFFFAOYSA-N -1 3 387.440 1.174 20 50 GDGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000826445541 607854756 /nfs/dbraw/zinc/85/47/56/607854756.db2.gz YFLKWUIAKZYZTM-KFWWJZLASA-N -1 3 397.439 1.158 20 50 GDGDHM 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392.423 1.773 20 50 GDGDHM C[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)CC(=O)N2C ZINC000736115711 944741359 /nfs/dbraw/zinc/74/13/59/944741359.db2.gz AHKXUGJQGBVNCY-NSHDSACASA-N -1 3 392.423 1.773 20 50 GDGDHM C[C@H]1C[C@H]1c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000736235485 944770867 /nfs/dbraw/zinc/77/08/67/944770867.db2.gz FSZQKJYNGJZAPL-IINYFYTJSA-N -1 3 381.396 1.727 20 50 GDGDHM C[C@H]1C[C@H]1c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000736235485 944770869 /nfs/dbraw/zinc/77/08/69/944770869.db2.gz FSZQKJYNGJZAPL-IINYFYTJSA-N -1 3 381.396 1.727 20 50 GDGDHM CCOC(=O)C1(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCC1 ZINC000736591034 944849187 /nfs/dbraw/zinc/84/91/87/944849187.db2.gz PLPGCMVNWYIRQO-RIYZIHGNSA-N -1 3 397.439 1.270 20 50 GDGDHM CCOC(=O)C1(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCC1 ZINC000736591034 944849194 /nfs/dbraw/zinc/84/91/94/944849194.db2.gz PLPGCMVNWYIRQO-RIYZIHGNSA-N -1 3 397.439 1.270 20 50 GDGDHM 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20 50 GDGDHM C[C@H]1CCC[C@H](C)C1NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820690449 945526142 /nfs/dbraw/zinc/52/61/42/945526142.db2.gz LZXYPQDCDSCLTJ-RYUDHWBXSA-N -1 3 387.444 1.401 20 50 GDGDHM C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000820753569 945553642 /nfs/dbraw/zinc/55/36/42/945553642.db2.gz ZHTLOLPHJGTIKZ-LBPRGKRZSA-N -1 3 377.408 1.251 20 50 GDGDHM C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000820753569 945553648 /nfs/dbraw/zinc/55/36/48/945553648.db2.gz ZHTLOLPHJGTIKZ-LBPRGKRZSA-N -1 3 377.408 1.251 20 50 GDGDHM CCN(CC)c1cc[nH]c(=NNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821196644 945651394 /nfs/dbraw/zinc/65/13/94/945651394.db2.gz CTWUPRMRQRYEFR-UHFFFAOYSA-N -1 3 381.444 1.579 20 50 GDGDHM CCN(CC)c1cc[nH]c(=NNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821196644 945651400 /nfs/dbraw/zinc/65/14/00/945651400.db2.gz CTWUPRMRQRYEFR-UHFFFAOYSA-N -1 3 381.444 1.579 20 50 GDGDHM CCOC(=O)[C@@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 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YRFNBWVPVDMFCH-UHFFFAOYSA-N -1 3 387.444 1.408 20 50 GDGDHM COC(=O)[C@@H](C)Oc1ccc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821640344 945765041 /nfs/dbraw/zinc/76/50/41/945765041.db2.gz GSAGNNLAWFITAU-GFCCVEGCSA-N -1 3 394.391 1.571 20 50 GDGDHM COC(=O)[C@@H](C)Oc1ccc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821640344 945765055 /nfs/dbraw/zinc/76/50/55/945765055.db2.gz GSAGNNLAWFITAU-GFCCVEGCSA-N -1 3 394.391 1.571 20 50 GDGDHM COC1CCC(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CC1 ZINC000821677605 945796530 /nfs/dbraw/zinc/79/65/30/945796530.db2.gz AMROXVZWTSONIH-NVNXTCNLSA-N -1 3 383.456 1.742 20 50 GDGDHM COC1CCC(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000821677605 945796540 /nfs/dbraw/zinc/79/65/40/945796540.db2.gz AMROXVZWTSONIH-NVNXTCNLSA-N -1 3 383.456 1.742 20 50 GDGDHM COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000821843166 945886003 /nfs/dbraw/zinc/88/60/03/945886003.db2.gz ZHCCIPCAJOLTOA-UHFFFAOYSA-N -1 3 382.380 1.024 20 50 GDGDHM COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000821843166 945886008 /nfs/dbraw/zinc/88/60/08/945886008.db2.gz ZHCCIPCAJOLTOA-UHFFFAOYSA-N -1 3 382.380 1.024 20 50 GDGDHM COc1cccc(O[C@@H](C)CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821872745 945891426 /nfs/dbraw/zinc/89/14/26/945891426.db2.gz PGEXPXGVBNBEMO-LBPRGKRZSA-N -1 3 383.412 1.969 20 50 GDGDHM COc1cccc(O[C@@H](C)CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821872745 945891443 /nfs/dbraw/zinc/89/14/43/945891443.db2.gz PGEXPXGVBNBEMO-LBPRGKRZSA-N -1 3 383.412 1.969 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000821994986 945914102 /nfs/dbraw/zinc/91/41/02/945914102.db2.gz SIGMMROVFHGTHU-SECBINFHSA-N -1 3 387.350 1.850 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000821994986 945914106 /nfs/dbraw/zinc/91/41/06/945914106.db2.gz SIGMMROVFHGTHU-SECBINFHSA-N -1 3 387.350 1.850 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2cccc(O)c2)cc(-c2nn[n-]n2)n1C ZINC000822020715 945924051 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945766226 /nfs/dbraw/zinc/76/62/26/945766226.db2.gz GSAGNNLAWFITAU-LBPRGKRZSA-N -1 3 394.391 1.571 20 50 GDGDHM COC(=O)[C@H](NNC(=O)c1cc2ccccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645063 945770162 /nfs/dbraw/zinc/77/01/62/945770162.db2.gz QDCNNLKNFOFANF-MRXNPFEDSA-N -1 3 392.375 1.762 20 50 GDGDHM COC(=O)[C@H](NNC(=O)c1cc2ccccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645063 945770166 /nfs/dbraw/zinc/77/01/66/945770166.db2.gz QDCNNLKNFOFANF-MRXNPFEDSA-N -1 3 392.375 1.762 20 50 GDGDHM COC(=O)[C@H](NNC(=O)CCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645072 945770758 /nfs/dbraw/zinc/77/07/58/945770758.db2.gz QEQHWZCQUZOTIF-GOSISDBHSA-N -1 3 394.435 1.725 20 50 GDGDHM COC(=O)[C@H](NNC(=O)CCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645072 945770766 /nfs/dbraw/zinc/77/07/66/945770766.db2.gz QEQHWZCQUZOTIF-GOSISDBHSA-N -1 3 394.435 1.725 20 50 GDGDHM COc1ccc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000821798743 945868545 /nfs/dbraw/zinc/86/85/45/945868545.db2.gz MAZPNYMLBAJGAF-UHFFFAOYSA-N -1 3 385.359 1.159 20 50 GDGDHM COc1ccc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000821798743 945868557 /nfs/dbraw/zinc/86/85/57/945868557.db2.gz MAZPNYMLBAJGAF-UHFFFAOYSA-N -1 3 385.359 1.159 20 50 GDGDHM COc1ccc2c(c1)C=C(C(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)CO2 ZINC000821849563 945883851 /nfs/dbraw/zinc/88/38/51/945883851.db2.gz MCMNNTIVBANRGH-UHFFFAOYSA-N -1 3 392.375 1.112 20 50 GDGDHM COc1ccc2c(c1)C=C(C(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)CO2 ZINC000821849563 945883859 /nfs/dbraw/zinc/88/38/59/945883859.db2.gz MCMNNTIVBANRGH-UHFFFAOYSA-N -1 3 392.375 1.112 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@H](c3ccco3)C2)cc(-c2nnn[n-]2)n1C ZINC000822027888 945936513 /nfs/dbraw/zinc/93/65/13/945936513.db2.gz KHSCFGQKSMYUBN-QHIITQONSA-N -1 3 393.407 1.614 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@H](c3ccco3)C2)cc(-c2nn[n-]n2)n1C ZINC000822027888 945936522 /nfs/dbraw/zinc/93/65/22/945936522.db2.gz KHSCFGQKSMYUBN-QHIITQONSA-N -1 3 393.407 1.614 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(C)CCCC[C@H]2O)cc(-c2nnn[n-]2)n1C ZINC000822027672 945937053 /nfs/dbraw/zinc/93/70/53/945937053.db2.gz IVBIOCZQHJXRDL-XBGKEDRASA-N -1 3 383.456 1.478 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(C)CCCC[C@H]2O)cc(-c2nn[n-]n2)n1C ZINC000822027672 945937063 /nfs/dbraw/zinc/93/70/63/945937063.db2.gz IVBIOCZQHJXRDL-XBGKEDRASA-N -1 3 383.456 1.478 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)cc(-c2nnn[n-]2)n1C ZINC000822028466 945945032 /nfs/dbraw/zinc/94/50/32/945945032.db2.gz OHUQDEPOZRVVMZ-LYKRBSFPSA-N -1 3 383.456 1.598 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)cc(-c2nn[n-]n2)n1C ZINC000822028466 945945039 /nfs/dbraw/zinc/94/50/39/945945039.db2.gz OHUQDEPOZRVVMZ-LYKRBSFPSA-N -1 3 383.456 1.598 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)NCCC(C)C)cc(-c2nnn[n-]2)n1C ZINC000822028791 945946060 /nfs/dbraw/zinc/94/60/60/945946060.db2.gz SEXIUPOQCQSWKE-LIOBOASVSA-N -1 3 399.455 1.515 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)NCCC(C)C)cc(-c2nn[n-]n2)n1C ZINC000822028791 945946070 /nfs/dbraw/zinc/94/60/70/945946070.db2.gz SEXIUPOQCQSWKE-LIOBOASVSA-N -1 3 399.455 1.515 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCOCc2ccccc2)cc(-c2nnn[n-]2)n1C ZINC000822028746 945946955 /nfs/dbraw/zinc/94/69/55/945946955.db2.gz RRVSYJGLZGTTBB-YVLHZVERSA-N -1 3 391.435 1.754 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCOCc2ccccc2)cc(-c2nn[n-]n2)n1C ZINC000822028746 945946965 /nfs/dbraw/zinc/94/69/65/945946965.db2.gz RRVSYJGLZGTTBB-YVLHZVERSA-N -1 3 391.435 1.754 20 50 GDGDHM Cc1ccc(CC[C@H](C)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822235207 946020710 /nfs/dbraw/zinc/02/07/10/946020710.db2.gz XHQQKPRULYFXSN-NSHDSACASA-N -1 3 383.412 1.733 20 50 GDGDHM Cc1ccc(CC[C@H](C)NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822235207 946020721 /nfs/dbraw/zinc/02/07/21/946020721.db2.gz XHQQKPRULYFXSN-NSHDSACASA-N -1 3 383.412 1.733 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2cccc(C)c2)cc(-c2nnn[n-]2)n1C ZINC000822288967 946045662 /nfs/dbraw/zinc/04/56/62/946045662.db2.gz OHHHUHWRWMCANJ-BHCQIWIZSA-N -1 3 391.435 1.579 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2cccc(C)c2)cc(-c2nn[n-]n2)n1C ZINC000822288967 946045675 /nfs/dbraw/zinc/04/56/75/946045675.db2.gz OHHHUHWRWMCANJ-BHCQIWIZSA-N -1 3 391.435 1.579 20 50 GDGDHM Cc1ccccc1CC(=O)NNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822356276 946066207 /nfs/dbraw/zinc/06/62/07/946066207.db2.gz QBXWZQGAPMZPHS-CYBMUJFWSA-N -1 3 379.424 1.809 20 50 GDGDHM Cc1ccccc1CC(=O)NNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822356276 946066219 /nfs/dbraw/zinc/06/62/19/946066219.db2.gz QBXWZQGAPMZPHS-CYBMUJFWSA-N -1 3 379.424 1.809 20 50 GDGDHM Cn1nc(C(=O)NN=Cc2ccc(-c3nnn[n-]3)cc2F)c2ccccc2c1=O ZINC000822704165 946159934 /nfs/dbraw/zinc/15/99/34/946159934.db2.gz IOJKGESMEIKOJM-UHFFFAOYSA-N -1 3 392.354 1.017 20 50 GDGDHM Cn1nc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)cc2F)c2ccccc2c1=O ZINC000822704165 946159939 /nfs/dbraw/zinc/15/99/39/946159939.db2.gz IOJKGESMEIKOJM-UHFFFAOYSA-N -1 3 392.354 1.017 20 50 GDGDHM N#Cc1ccc(OCC(=O)NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000822832919 946198762 /nfs/dbraw/zinc/19/87/62/946198762.db2.gz INYXWIPFBGOTLT-UHFFFAOYSA-N -1 3 386.375 1.749 20 50 GDGDHM N#Cc1ccc(OCC(=O)NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000822832919 946198776 /nfs/dbraw/zinc/19/87/76/946198776.db2.gz INYXWIPFBGOTLT-UHFFFAOYSA-N -1 3 386.375 1.749 20 50 GDGDHM O=C(CN1CCC[C@@H]1c1cccs1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822997060 946257800 /nfs/dbraw/zinc/25/78/00/946257800.db2.gz MFMINESXOJVYNZ-CQSZACIVSA-N -1 3 397.464 1.526 20 50 GDGDHM O=C(CN1CCC[C@@H]1c1cccs1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822997060 946257808 /nfs/dbraw/zinc/25/78/08/946257808.db2.gz MFMINESXOJVYNZ-CQSZACIVSA-N -1 3 397.464 1.526 20 50 GDGDHM O=C(COC(=O)CC1=CCCCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823017549 946268965 /nfs/dbraw/zinc/26/89/65/946268965.db2.gz BGUSFWAFTLQGDZ-UHFFFAOYSA-N -1 3 384.396 1.061 20 50 GDGDHM O=C(COC(=O)CC1=CCCCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823017549 946268975 /nfs/dbraw/zinc/26/89/75/946268975.db2.gz BGUSFWAFTLQGDZ-UHFFFAOYSA-N -1 3 384.396 1.061 20 50 GDGDHM O=C(COC(=O)CCC1CCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018078 946270619 /nfs/dbraw/zinc/27/06/19/946270619.db2.gz HIQLCAJWDTVFBE-UHFFFAOYSA-N -1 3 386.412 1.141 20 50 GDGDHM O=C(COC(=O)CCC1CCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018078 946270626 /nfs/dbraw/zinc/27/06/26/946270626.db2.gz HIQLCAJWDTVFBE-UHFFFAOYSA-N -1 3 386.412 1.141 20 50 GDGDHM O=C(COC/C=C\c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823031757 946282937 /nfs/dbraw/zinc/28/29/37/946282937.db2.gz IKCIHIBOXJQEDQ-YVMONPNESA-N -1 3 378.392 1.358 20 50 GDGDHM O=C(COC/C=C\c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823031757 946282942 /nfs/dbraw/zinc/28/29/42/946282942.db2.gz IKCIHIBOXJQEDQ-YVMONPNESA-N -1 3 378.392 1.358 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@@H]1CC2CCC1CC2 ZINC000823036963 946287221 /nfs/dbraw/zinc/28/72/21/946287221.db2.gz OBMBPWJVVBNRGD-KOHJWAIASA-N -1 3 385.428 1.155 20 50 GDGDHM O=C(COc1cccc(-c2nn[nH]n2)c1)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000823044624 946290780 /nfs/dbraw/zinc/29/07/80/946290780.db2.gz XPWHWXWRJPIHBB-UHFFFAOYSA-N -1 3 390.762 1.499 20 50 GDGDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NN=c1nc[nH]c2ccsc21 ZINC000823215094 946347167 /nfs/dbraw/zinc/34/71/67/946347167.db2.gz GMNPZDJPGZUCCL-UHFFFAOYSA-N -1 3 397.424 1.577 20 50 GDGDHM O=C(NNC(=O)N1CC[C@@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277304 946398881 /nfs/dbraw/zinc/39/88/81/946398881.db2.gz JTQXQBIHNWVNAH-OAHLLOKOSA-N -1 3 381.371 1.807 20 50 GDGDHM O=C(NNC(=O)N1CC[C@@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277304 946398889 /nfs/dbraw/zinc/39/88/89/946398889.db2.gz JTQXQBIHNWVNAH-OAHLLOKOSA-N -1 3 381.371 1.807 20 50 GDGDHM CCC(CC)[C@@H](CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)OC ZINC000825097763 947077154 /nfs/dbraw/zinc/07/71/54/947077154.db2.gz YVDPUSICFOXTJC-OAHLLOKOSA-N -1 3 389.460 1.652 20 50 GDGDHM CCC(CC)[C@@H](CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)OC ZINC000825097763 947077163 /nfs/dbraw/zinc/07/71/63/947077163.db2.gz YVDPUSICFOXTJC-OAHLLOKOSA-N -1 3 389.460 1.652 20 50 GDGDHM Cc1nc(-c2ccccn2)nc(NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1C ZINC000826232654 947682927 /nfs/dbraw/zinc/68/29/27/947682927.db2.gz BTUUNALFXAWRQQ-UHFFFAOYSA-N -1 3 376.384 1.421 20 50 GDGDHM Cc1nc(-c2ccccn2)nc(NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1C ZINC000826232654 947682935 /nfs/dbraw/zinc/68/29/35/947682935.db2.gz BTUUNALFXAWRQQ-UHFFFAOYSA-N -1 3 376.384 1.421 20 50 GDGDHM Nc1nc(Cl)cc(=NNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000826396465 948209082 /nfs/dbraw/zinc/20/90/82/948209082.db2.gz ZUJKAHKCUGOIBX-UHFFFAOYSA-N -1 3 391.848 1.269 20 50 GDGDHM O=C(NNC(=O)N1CC[C@@H](Cc2ccncc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444323 948307239 /nfs/dbraw/zinc/30/72/39/948307239.db2.gz AZOUTVCKEWYBRE-AWEZNQCLSA-N -1 3 392.423 1.181 20 50 GDGDHM O=C(NNC(=O)N1CC[C@@H](Cc2ccncc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444323 948307246 /nfs/dbraw/zinc/30/72/46/948307246.db2.gz AZOUTVCKEWYBRE-AWEZNQCLSA-N -1 3 392.423 1.181 20 50 GDGDHM C[C@@H](Sc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001575504934 949097018 /nfs/dbraw/zinc/09/70/18/949097018.db2.gz ZKZPFCUQCBZRGW-SNVBAGLBSA-N -1 3 386.412 1.948 20 50 GDGDHM C[C@@H](Sc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001575504934 949097038 /nfs/dbraw/zinc/09/70/38/949097038.db2.gz ZKZPFCUQCBZRGW-SNVBAGLBSA-N -1 3 386.412 1.948 20 50 GDGDHM C#CCN(C)CCCNC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001588461435 983489904 /nfs/dbraw/zinc/48/99/04/983489904.db2.gz PLSPXBANZUCIPM-UHFFFAOYSA-N -1 3 383.246 1.729 20 50 GDGDHM CC(C)S(=O)(=O)c1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824338403 607340166 /nfs/dbraw/zinc/34/01/66/607340166.db2.gz ZEKPYRUHNCDIGH-UHFFFAOYSA-N -1 3 386.437 1.806 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000826446147 607348408 /nfs/dbraw/zinc/34/84/08/607348408.db2.gz BMPDIKKHRDZNQZ-HNNXBMFYSA-N -1 3 381.371 1.502 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccnc(OCC(F)(F)F)c1 ZINC000826447599 607348634 /nfs/dbraw/zinc/34/86/34/607348634.db2.gz NBBJNIKBXNZXRI-UHFFFAOYSA-N -1 3 379.302 1.960 20 50 GDGDHM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825050930 607353740 /nfs/dbraw/zinc/35/37/40/607353740.db2.gz LRWVWKKGLGVMNA-ZWNOBZJWSA-N -1 3 375.458 1.257 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000826446168 607354099 /nfs/dbraw/zinc/35/40/99/607354099.db2.gz CBOMCFDTOWUOGU-OAHLLOKOSA-N -1 3 385.334 1.781 20 50 GDGDHM CS(=O)(=O)c1ccc(NNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826224097 607357749 /nfs/dbraw/zinc/35/77/49/607357749.db2.gz ODFJZCPNLHGSAC-WDZFZDKYSA-N -1 3 384.421 1.427 20 50 GDGDHM CS(=O)(=O)c1ccc(NNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826224097 607357751 /nfs/dbraw/zinc/35/77/51/607357751.db2.gz ODFJZCPNLHGSAC-WDZFZDKYSA-N -1 3 384.421 1.427 20 50 GDGDHM Cc1cc(F)ccc1NNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826268779 607393265 /nfs/dbraw/zinc/39/32/65/607393265.db2.gz NCRITLZNAKEWFB-UHFFFAOYSA-N -1 3 393.386 1.839 20 50 GDGDHM Cc1cc(F)ccc1NNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826268779 607393267 /nfs/dbraw/zinc/39/32/67/607393267.db2.gz NCRITLZNAKEWFB-UHFFFAOYSA-N -1 3 393.386 1.839 20 50 GDGDHM CCOc1ccc(C(=O)NCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825631804 607462544 /nfs/dbraw/zinc/46/25/44/607462544.db2.gz GKZWMAXWDRTUEZ-UHFFFAOYSA-N -1 3 381.396 1.139 20 50 GDGDHM CCOc1ccc(C(=O)NCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825631804 607462545 /nfs/dbraw/zinc/46/25/45/607462545.db2.gz GKZWMAXWDRTUEZ-UHFFFAOYSA-N -1 3 381.396 1.139 20 50 GDGDHM Cc1c([N+](=O)[O-])cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826243024 607463112 /nfs/dbraw/zinc/46/31/12/607463112.db2.gz QUDDSWLXCJNCRH-UHFFFAOYSA-N -1 3 384.312 1.748 20 50 GDGDHM O=C([O-])[C@@H](NNC(=O)CCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000833099834 601446184 /nfs/dbraw/zinc/44/61/84/601446184.db2.gz JKJNIKPPJDDZJD-FQEVSTJZSA-N -1 3 382.464 1.645 20 50 GDGDHM COc1ccc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826200563 607576683 /nfs/dbraw/zinc/57/66/83/607576683.db2.gz WNZASQOTVVOMIC-UHFFFAOYSA-N -1 3 399.386 1.088 20 50 GDGDHM COc1ccc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826200563 607576686 /nfs/dbraw/zinc/57/66/86/607576686.db2.gz WNZASQOTVVOMIC-UHFFFAOYSA-N -1 3 399.386 1.088 20 50 GDGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000826248921 607650442 /nfs/dbraw/zinc/65/04/42/607650442.db2.gz CHCPFODOXHMOLD-LLVKDONJSA-N -1 3 384.371 1.543 20 50 GDGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000826248921 607650444 /nfs/dbraw/zinc/65/04/44/607650444.db2.gz CHCPFODOXHMOLD-LLVKDONJSA-N -1 3 384.371 1.543 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(N2C(=O)CNC2=O)c1 ZINC000826446757 607672860 /nfs/dbraw/zinc/67/28/60/607672860.db2.gz XDGKEQQGKCILBF-UHFFFAOYSA-N -1 3 393.367 1.072 20 50 GDGDHM CCCCC(=O)N1CSC[C@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825261439 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GDGDHM CS(=O)(=O)Cc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826222875 608809574 /nfs/dbraw/zinc/80/95/74/608809574.db2.gz QQOGVRPRUVMTEC-UHFFFAOYSA-N -1 3 387.425 1.560 20 50 GDGDHM CS(=O)(=O)Cc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826222875 608809575 /nfs/dbraw/zinc/80/95/75/608809575.db2.gz QQOGVRPRUVMTEC-UHFFFAOYSA-N -1 3 387.425 1.560 20 50 GDGDHM COCCc1nc(C)c(C(C)=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826162991 608882366 /nfs/dbraw/zinc/88/23/66/608882366.db2.gz BKPKSSYRNOHKFQ-UHFFFAOYSA-N -1 3 385.453 1.975 20 50 GDGDHM COCCc1nc(C)c(C(C)=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826162991 608882369 /nfs/dbraw/zinc/88/23/69/608882369.db2.gz BKPKSSYRNOHKFQ-UHFFFAOYSA-N -1 3 385.453 1.975 20 50 GDGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)nn1-c1cccc(C#N)c1 ZINC000826259928 609165418 /nfs/dbraw/zinc/16/54/18/609165418.db2.gz MYLLCXYWEFJMHM-UHFFFAOYSA-N -1 3 385.391 1.989 20 50 GDGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)nn1-c1cccc(C#N)c1 ZINC000826259928 609165420 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ZINC000826179780 608104412 /nfs/dbraw/zinc/10/44/12/608104412.db2.gz DJWCTEMCEFAATJ-AUWJEWJLSA-N -1 3 379.380 1.568 20 50 GDGDHM COc1cc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)ccn1 ZINC000826179780 608104413 /nfs/dbraw/zinc/10/44/13/608104413.db2.gz DJWCTEMCEFAATJ-AUWJEWJLSA-N -1 3 379.380 1.568 20 50 GDGDHM CC(=CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943807 608134080 /nfs/dbraw/zinc/13/40/80/608134080.db2.gz ULUQXRUSHLOTOV-ZHACJKMWSA-N -1 3 393.363 1.639 20 50 GDGDHM CC(=CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943807 608134081 /nfs/dbraw/zinc/13/40/81/608134081.db2.gz ULUQXRUSHLOTOV-ZHACJKMWSA-N -1 3 393.363 1.639 20 50 GDGDHM CC(C)Oc1ccc(NC(=O)C(=O)NNc2ccccc2)cc1-c1nnn[n-]1 ZINC000824325084 608140729 /nfs/dbraw/zinc/14/07/29/608140729.db2.gz ZUSOKXCPABABMG-UHFFFAOYSA-N -1 3 381.396 1.736 20 50 GDGDHM CC(C)Oc1ccc(NC(=O)C(=O)NNc2ccccc2)cc1-c1nn[n-]n1 ZINC000824325084 608140730 /nfs/dbraw/zinc/14/07/30/608140730.db2.gz ZUSOKXCPABABMG-UHFFFAOYSA-N -1 3 381.396 1.736 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000826447897 608165638 /nfs/dbraw/zinc/16/56/38/608165638.db2.gz AKLRSTVXVZIIRG-LLVKDONJSA-N -1 3 399.361 1.641 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000826447897 608165639 /nfs/dbraw/zinc/16/56/39/608165639.db2.gz AKLRSTVXVZIIRG-LLVKDONJSA-N -1 3 399.361 1.641 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824500654 608411654 /nfs/dbraw/zinc/41/16/54/608411654.db2.gz YWGICSRQRBTRIL-SNVBAGLBSA-N -1 3 396.367 1.480 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824500654 608411655 /nfs/dbraw/zinc/41/16/55/608411655.db2.gz YWGICSRQRBTRIL-SNVBAGLBSA-N -1 3 396.367 1.480 20 50 GDGDHM CCOC(=O)C(C#N)=CNC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825486755 608525863 /nfs/dbraw/zinc/52/58/63/608525863.db2.gz XWZSGPWNWDEBED-ACCUITESSA-N -1 3 383.412 1.512 20 50 GDGDHM CCOC(=O)C(C#N)=CNC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825486755 608525864 /nfs/dbraw/zinc/52/58/64/608525864.db2.gz XWZSGPWNWDEBED-ACCUITESSA-N -1 3 383.412 1.512 20 50 GDGDHM O=C(NN=c1[nH]c2ccccc2[nH]1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826449614 608548998 /nfs/dbraw/zinc/54/89/98/608548998.db2.gz BGBKDPGSJQTLHV-MRXNPFEDSA-N -1 3 389.423 1.855 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cnn(Cc2ccccn2)c1 ZINC000826448288 608816182 /nfs/dbraw/zinc/81/61/82/608816182.db2.gz PNLGNLNNDHKQIH-UHFFFAOYSA-N -1 3 376.384 1.655 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cnn(Cc2ccccn2)c1 ZINC000826448288 608816186 /nfs/dbraw/zinc/81/61/86/608816186.db2.gz PNLGNLNNDHKQIH-UHFFFAOYSA-N -1 3 376.384 1.655 20 50 GDGDHM CC(C)c1nnc2n1C[C@@H](NC(=O)NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000824364298 609181232 /nfs/dbraw/zinc/18/12/32/609181232.db2.gz ABSRLFRPWYINQZ-ZDUSSCGKSA-N -1 3 382.432 1.223 20 50 GDGDHM CC(C)c1nnc2n1C[C@@H](NC(=O)NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000824364298 609181234 /nfs/dbraw/zinc/18/12/34/609181234.db2.gz ABSRLFRPWYINQZ-ZDUSSCGKSA-N -1 3 382.432 1.223 20 50 GDGDHM CC[C@H](C)Oc1cc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000825075179 609183522 /nfs/dbraw/zinc/18/35/22/609183522.db2.gz MYYZWVSPGDEBOZ-NSHDSACASA-N -1 3 381.396 1.514 20 50 GDGDHM O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444414 609183748 /nfs/dbraw/zinc/18/37/48/609183748.db2.gz FNOPJIMWWFQMBB-GAURAVSJSA-N -1 3 396.451 1.264 20 50 GDGDHM O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444414 609183749 /nfs/dbraw/zinc/18/37/49/609183749.db2.gz FNOPJIMWWFQMBB-GAURAVSJSA-N -1 3 396.451 1.264 20 50 GDGDHM CC(C)C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824235006 609184862 /nfs/dbraw/zinc/18/48/62/609184862.db2.gz AIIWGDOFJVGDHP-HUUCEWRRSA-N -1 3 387.444 1.404 20 50 GDGDHM CC(C)C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824235006 609184864 /nfs/dbraw/zinc/18/48/64/609184864.db2.gz AIIWGDOFJVGDHP-HUUCEWRRSA-N -1 3 387.444 1.404 20 50 GDGDHM O=C(NNc1ccnc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826449472 609299893 /nfs/dbraw/zinc/29/98/93/609299893.db2.gz UYZHAKOBUFJGHF-UHFFFAOYSA-N -1 3 376.739 1.136 20 50 GDGDHM O=C(NNc1ccnc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826449472 609299894 /nfs/dbraw/zinc/29/98/94/609299894.db2.gz UYZHAKOBUFJGHF-UHFFFAOYSA-N -1 3 376.739 1.136 20 50 GDGDHM CC(C)CNC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000824266557 609301899 /nfs/dbraw/zinc/30/18/99/609301899.db2.gz NAZWGCPNVGGTGO-NVNXTCNLSA-N -1 3 376.424 1.946 20 50 GDGDHM CC(C)CNC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000824266557 609301901 /nfs/dbraw/zinc/30/19/01/609301901.db2.gz NAZWGCPNVGGTGO-NVNXTCNLSA-N -1 3 376.424 1.946 20 50 GDGDHM Cc1csc(SCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737454028 945073274 /nfs/dbraw/zinc/07/32/74/945073274.db2.gz VLVYQHYELCKLOQ-UHFFFAOYSA-N -1 3 375.439 1.185 20 50 GDGDHM Cc1csc(SCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737454028 945073285 /nfs/dbraw/zinc/07/32/85/945073285.db2.gz VLVYQHYELCKLOQ-UHFFFAOYSA-N -1 3 375.439 1.185 20 50 GDGDHM Cc1nn(CCCl)c(C)c1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737512956 945087322 /nfs/dbraw/zinc/08/73/22/945087322.db2.gz CPTBFXVWIRHCGL-UHFFFAOYSA-N -1 3 389.847 1.728 20 50 GDGDHM Cc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737512978 945087356 /nfs/dbraw/zinc/08/73/56/945087356.db2.gz DKAFGRKETZWQCU-UHFFFAOYSA-N -1 3 396.455 1.340 20 50 GDGDHM Cc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737512978 945087361 /nfs/dbraw/zinc/08/73/61/945087361.db2.gz DKAFGRKETZWQCU-UHFFFAOYSA-N -1 3 396.455 1.340 20 50 GDGDHM Cc1noc(C)c1CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737536604 945091248 /nfs/dbraw/zinc/09/12/48/945091248.db2.gz JZGGXXSFPGRRPC-AUWJEWJLSA-N -1 3 380.412 1.384 20 50 GDGDHM Cc1noc(C)c1CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737536604 945091261 /nfs/dbraw/zinc/09/12/61/945091261.db2.gz JZGGXXSFPGRRPC-AUWJEWJLSA-N -1 3 380.412 1.384 20 50 GDGDHM Cn1cc(-c2cccc(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)c2)cn1 ZINC000737592957 945098455 /nfs/dbraw/zinc/09/84/55/945098455.db2.gz NRTDISWQHLADMH-UHFFFAOYSA-N -1 3 388.391 1.342 20 50 GDGDHM Cn1cc(-c2cccc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)c2)cn1 ZINC000737592957 945098463 /nfs/dbraw/zinc/09/84/63/945098463.db2.gz NRTDISWQHLADMH-UHFFFAOYSA-N -1 3 388.391 1.342 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C[C@H]1CCc2ccccc21 ZINC000737918803 945151970 /nfs/dbraw/zinc/15/19/70/945151970.db2.gz MAMPVGHOMWIIEM-OAHLLOKOSA-N -1 3 392.419 1.513 20 50 GDGDHM O=C(COc1ccc(Cl)cc1)NNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737919289 945153292 /nfs/dbraw/zinc/15/32/92/945153292.db2.gz HBOVUGUONBFCTL-UHFFFAOYSA-N -1 3 387.787 1.752 20 50 GDGDHM O=C(COc1ccc(Cl)cc1)NNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737919289 945153297 /nfs/dbraw/zinc/15/32/97/945153297.db2.gz HBOVUGUONBFCTL-UHFFFAOYSA-N -1 3 387.787 1.752 20 50 GDGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNc1ccc(Br)nc1 ZINC000737924775 945154872 /nfs/dbraw/zinc/15/48/72/945154872.db2.gz KUGXANUVDOWFFB-UHFFFAOYSA-N -1 3 390.201 1.546 20 50 GDGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNc1ccc(Br)nc1 ZINC000737924775 945154876 /nfs/dbraw/zinc/15/48/76/945154876.db2.gz KUGXANUVDOWFFB-UHFFFAOYSA-N -1 3 390.201 1.546 20 50 GDGDHM O=C(Cc1csc(-c2ccoc2)n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737977674 945170760 /nfs/dbraw/zinc/17/07/60/945170760.db2.gz FXSQNGAQSQENFD-UHFFFAOYSA-N -1 3 395.404 1.587 20 50 GDGDHM O=C(Cc1csc(-c2ccoc2)n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737977674 945170764 /nfs/dbraw/zinc/17/07/64/945170764.db2.gz FXSQNGAQSQENFD-UHFFFAOYSA-N -1 3 395.404 1.587 20 50 GDGDHM O=C(Cn1ccc2ccccc21)NNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737987322 945172372 /nfs/dbraw/zinc/17/23/72/945172372.db2.gz VMICAIVZYFAROW-UHFFFAOYSA-N -1 3 390.407 1.352 20 50 GDGDHM O=C(Cn1ccc2ccccc21)NNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737987322 945172384 /nfs/dbraw/zinc/17/23/84/945172384.db2.gz VMICAIVZYFAROW-UHFFFAOYSA-N -1 3 390.407 1.352 20 50 GDGDHM O=C(NCc1ccc2ccccc2n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738111138 945193131 /nfs/dbraw/zinc/19/31/31/945193131.db2.gz IPESZDJOOKZCKQ-UHFFFAOYSA-N -1 3 388.391 1.559 20 50 GDGDHM O=C(NCc1ccc2ccccc2n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738111138 945193139 /nfs/dbraw/zinc/19/31/39/945193139.db2.gz IPESZDJOOKZCKQ-UHFFFAOYSA-N -1 3 388.391 1.559 20 50 GDGDHM O=C(NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cccc2cccnc21 ZINC000738129629 945202118 /nfs/dbraw/zinc/20/21/18/945202118.db2.gz FSPZUPCIDDPSPI-UHFFFAOYSA-N -1 3 383.375 1.827 20 50 GDGDHM O=C(NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cccc2cccnc21 ZINC000738129629 945202127 /nfs/dbraw/zinc/20/21/27/945202127.db2.gz FSPZUPCIDDPSPI-UHFFFAOYSA-N -1 3 383.375 1.827 20 50 GDGDHM O=C(NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738130079 945207747 /nfs/dbraw/zinc/20/77/47/945207747.db2.gz IXHGAZRXTBCJFU-NEPJUHHUSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738130079 945207754 /nfs/dbraw/zinc/20/77/54/945207754.db2.gz IXHGAZRXTBCJFU-NEPJUHHUSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)c1ccccc1OC1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738134137 945216296 /nfs/dbraw/zinc/21/62/96/945216296.db2.gz FZKCBPXVDVTVED-UHFFFAOYSA-N -1 3 378.392 1.873 20 50 GDGDHM O=C(NNC(=O)c1ccccc1OC1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738134137 945216303 /nfs/dbraw/zinc/21/63/03/945216303.db2.gz FZKCBPXVDVTVED-UHFFFAOYSA-N -1 3 378.392 1.873 20 50 GDGDHM O=C(NNC(=O)c1cc(=O)[nH]c2ccc(F)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738135859 945226289 /nfs/dbraw/zinc/22/62/89/945226289.db2.gz CNMZIMWGBLUYMD-UHFFFAOYSA-N -1 3 393.338 1.334 20 50 GDGDHM O=C(NNC(=O)c1cc(=O)[nH]c2ccc(F)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738135859 945226297 /nfs/dbraw/zinc/22/62/97/945226297.db2.gz CNMZIMWGBLUYMD-UHFFFAOYSA-N -1 3 393.338 1.334 20 50 GDGDHM O=C(NNC(=O)N1CCCc2sccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738136225 945232147 /nfs/dbraw/zinc/23/21/47/945232147.db2.gz IBXNCXMUWFZVDR-UHFFFAOYSA-N -1 3 383.437 1.731 20 50 GDGDHM O=C(NNC(=O)N1CCCc2sccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738136225 945232162 /nfs/dbraw/zinc/23/21/62/945232162.db2.gz IBXNCXMUWFZVDR-UHFFFAOYSA-N -1 3 383.437 1.731 20 50 GDGDHM O=C(NNC(=O)N1CCC[C@H]1c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738136365 945234495 /nfs/dbraw/zinc/23/44/95/945234495.db2.gz KUBRGRFHOCFLMC-HNNXBMFYSA-N -1 3 378.396 1.453 20 50 GDGDHM O=C(NNC(=O)N1CCC[C@H]1c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738136365 945234505 /nfs/dbraw/zinc/23/45/05/945234505.db2.gz KUBRGRFHOCFLMC-HNNXBMFYSA-N -1 3 378.396 1.453 20 50 GDGDHM CC(C)(C)C(=O)NCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819899515 945309460 /nfs/dbraw/zinc/30/94/60/945309460.db2.gz VPXJEQHAJDVLMN-UHFFFAOYSA-N -1 3 385.350 1.491 20 50 GDGDHM CC(C)(C)C(=O)NCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819899515 945309468 /nfs/dbraw/zinc/30/94/68/945309468.db2.gz VPXJEQHAJDVLMN-UHFFFAOYSA-N -1 3 385.350 1.491 20 50 GDGDHM CC(C)CC(C)(C)CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820051962 945340200 /nfs/dbraw/zinc/34/02/00/945340200.db2.gz ZBJXPELGUXPOBK-UHFFFAOYSA-N -1 3 389.460 1.648 20 50 GDGDHM CC(C)CC(C)(C)CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820051962 945340209 /nfs/dbraw/zinc/34/02/09/945340209.db2.gz ZBJXPELGUXPOBK-UHFFFAOYSA-N -1 3 389.460 1.648 20 50 GDGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000735447042 944652373 /nfs/dbraw/zinc/65/23/73/944652373.db2.gz HKUOKSJHOCBHQZ-UHFFFAOYSA-N -1 3 399.436 1.392 20 50 GDGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000735447042 944652379 /nfs/dbraw/zinc/65/23/79/944652379.db2.gz HKUOKSJHOCBHQZ-UHFFFAOYSA-N -1 3 399.436 1.392 20 50 GDGDHM C[C@@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)N1CCc2ccccc2C1 ZINC000735552223 944671688 /nfs/dbraw/zinc/67/16/88/944671688.db2.gz WEZVNMBRSQOWPT-ZDUSSCGKSA-N -1 3 391.435 1.075 20 50 GDGDHM C[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)N1CCc2ccccc2C1 ZINC000735552223 944671693 /nfs/dbraw/zinc/67/16/93/944671693.db2.gz WEZVNMBRSQOWPT-ZDUSSCGKSA-N -1 3 391.435 1.075 20 50 GDGDHM C[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)CC(=O)N2C ZINC000736115710 944741314 /nfs/dbraw/zinc/74/13/14/944741314.db2.gz AHKXUGJQGBVNCY-LLVKDONJSA-N -1 3 392.423 1.773 20 50 GDGDHM C[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)CC(=O)N2C ZINC000736115710 944741319 /nfs/dbraw/zinc/74/13/19/944741319.db2.gz AHKXUGJQGBVNCY-LLVKDONJSA-N -1 3 392.423 1.773 20 50 GDGDHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736173812 944754114 /nfs/dbraw/zinc/75/41/14/944754114.db2.gz IYCZFLVNXJZJHQ-LBPRGKRZSA-N -1 3 392.419 1.584 20 50 GDGDHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736173812 944754120 /nfs/dbraw/zinc/75/41/20/944754120.db2.gz IYCZFLVNXJZJHQ-LBPRGKRZSA-N -1 3 392.419 1.584 20 50 GDGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)C(C)(C)c1ccccc1 ZINC000736185064 944755122 /nfs/dbraw/zinc/75/51/22/944755122.db2.gz 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C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)Cc2ccccc21 ZINC000820753259 945554953 /nfs/dbraw/zinc/55/49/53/945554953.db2.gz XPHWUUKMXVIWOG-CYBMUJFWSA-N -1 3 391.435 1.247 20 50 GDGDHM CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820937985 945592088 /nfs/dbraw/zinc/59/20/88/945592088.db2.gz GDSJDXVGNRHVJU-CQSZACIVSA-N -1 3 384.371 1.624 20 50 GDGDHM CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820937985 945592093 /nfs/dbraw/zinc/59/20/93/945592093.db2.gz GDSJDXVGNRHVJU-CQSZACIVSA-N -1 3 384.371 1.624 20 50 GDGDHM CCC1(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000820945460 945593333 /nfs/dbraw/zinc/59/33/33/945593333.db2.gz UIVGSFQIDYPQPO-UHFFFAOYSA-N -1 3 386.412 1.141 20 50 GDGDHM CCC1(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000820945460 945593344 /nfs/dbraw/zinc/59/33/44/945593344.db2.gz UIVGSFQIDYPQPO-UHFFFAOYSA-N -1 3 386.412 1.141 20 50 GDGDHM CCN(CC)c1cc[nH]c(=NNC(=O)COc2ccccc2-c2nnn[n-]2)n1 ZINC000821197923 945652995 /nfs/dbraw/zinc/65/29/95/945652995.db2.gz OWFNWRQTOPURTK-UHFFFAOYSA-N -1 3 383.416 1.025 20 50 GDGDHM CCN(CC)c1cc[nH]c(=NNC(=O)COc2ccccc2-c2nn[n-]n2)n1 ZINC000821197923 945652998 /nfs/dbraw/zinc/65/29/98/945652998.db2.gz OWFNWRQTOPURTK-UHFFFAOYSA-N -1 3 383.416 1.025 20 50 GDGDHM CCOc1cccc(NC(=S)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821430704 945695655 /nfs/dbraw/zinc/69/56/55/945695655.db2.gz DYVUGUQUUYUCKU-UHFFFAOYSA-N -1 3 383.437 1.897 20 50 GDGDHM CCOc1cccc(NC(=S)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821430704 945695659 /nfs/dbraw/zinc/69/56/59/945695659.db2.gz DYVUGUQUUYUCKU-UHFFFAOYSA-N -1 3 383.437 1.897 20 50 GDGDHM CCS[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821455044 945701189 /nfs/dbraw/zinc/70/11/89/945701189.db2.gz ISTKDFRMISBGTH-UONOGXRCSA-N -1 3 389.485 1.875 20 50 GDGDHM CCS[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821455044 945701196 /nfs/dbraw/zinc/70/11/96/945701196.db2.gz ISTKDFRMISBGTH-UONOGXRCSA-N -1 3 389.485 1.875 20 50 GDGDHM COc1cc(C(C)=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(OC)cc1O ZINC000821708368 945839004 /nfs/dbraw/zinc/83/90/04/945839004.db2.gz OBIFXVHRFWOIAR-UHFFFAOYSA-N -1 3 382.380 1.744 20 50 GDGDHM COc1cc(C(C)=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(OC)cc1O ZINC000821708368 945839016 /nfs/dbraw/zinc/83/90/16/945839016.db2.gz OBIFXVHRFWOIAR-UHFFFAOYSA-N -1 3 382.380 1.744 20 50 GDGDHM COc1ccc(NNC(=O)COc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821835746 945883060 /nfs/dbraw/zinc/88/30/60/945883060.db2.gz QQXXUDZOIJYVGM-UHFFFAOYSA-N -1 3 385.340 1.306 20 50 GDGDHM COc1ccc(NNC(=O)COc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821835746 945883068 /nfs/dbraw/zinc/88/30/68/945883068.db2.gz QQXXUDZOIJYVGM-UHFFFAOYSA-N -1 3 385.340 1.306 20 50 GDGDHM COc1cccc([C@@H](C)CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859968 945887690 /nfs/dbraw/zinc/88/76/90/945887690.db2.gz VBTZDZNBLNTEPV-LBPRGKRZSA-N -1 3 380.408 1.830 20 50 GDGDHM COc1cccc([C@@H](C)CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859968 945887701 /nfs/dbraw/zinc/88/77/01/945887701.db2.gz VBTZDZNBLNTEPV-LBPRGKRZSA-N -1 3 380.408 1.830 20 50 GDGDHM COc1ccccc1C(=O)NNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821882668 945894740 /nfs/dbraw/zinc/89/47/40/945894740.db2.gz HTTJTNFNFBUKFP-LLVKDONJSA-N -1 3 381.396 1.581 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2ccccc2CO)cc(-c2nnn[n-]2)n1C ZINC000822027004 945928034 /nfs/dbraw/zinc/92/80/34/945928034.db2.gz CKFPSUILALORGF-APSNUPSMSA-N -1 3 377.408 1.229 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2ccccc2CO)cc(-c2nn[n-]n2)n1C ZINC000822027004 945928042 /nfs/dbraw/zinc/92/80/42/945928042.db2.gz CKFPSUILALORGF-APSNUPSMSA-N -1 3 377.408 1.229 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)NCC(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027252 945931875 /nfs/dbraw/zinc/93/18/75/945931875.db2.gz FVRABLYOBUNWFG-VWBIBIBXSA-N -1 3 385.428 1.125 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)NCC(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027252 945931885 /nfs/dbraw/zinc/93/18/85/945931885.db2.gz FVRABLYOBUNWFG-VWBIBIBXSA-N -1 3 385.428 1.125 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2ccc3c(c2)ncn3C)cc(-c2nn[n-]n2)n1C ZINC000822027434 945934837 /nfs/dbraw/zinc/93/48/37/945934837.db2.gz HCVKVIYESVASSR-AWNIVKPZSA-N -1 3 387.407 1.946 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCCc2ccc(Cl)nc2)cc(-c2nn[n-]n2)n1C ZINC000822028097 945938564 /nfs/dbraw/zinc/93/85/64/945938564.db2.gz LAQAAMAYBQZZCL-VGOFMYFVSA-N -1 3 396.842 1.828 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)OCc2nccn2C(C)C)cc(-c2nnn[n-]2)n1C ZINC000822028847 945949103 /nfs/dbraw/zinc/94/91/03/945949103.db2.gz SPYKACBWJZORKQ-AUWJEWJLSA-N -1 3 380.412 1.941 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)OCc2nccn2C(C)C)cc(-c2nn[n-]n2)n1C ZINC000822028847 945949111 /nfs/dbraw/zinc/94/91/11/945949111.db2.gz SPYKACBWJZORKQ-AUWJEWJLSA-N -1 3 380.412 1.941 20 50 GDGDHM Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822228874 946009133 /nfs/dbraw/zinc/00/91/33/946009133.db2.gz HPMHVHYCLBGQAS-UHFFFAOYSA-N -1 3 383.412 1.467 20 50 GDGDHM Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822228874 946009143 /nfs/dbraw/zinc/00/91/43/946009143.db2.gz HPMHVHYCLBGQAS-UHFFFAOYSA-N -1 3 383.412 1.467 20 50 GDGDHM Cc1cccc([C@H]2CCCN2C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822299817 946048949 /nfs/dbraw/zinc/04/89/49/946048949.db2.gz VTFBYWTWMWRYHI-MRXNPFEDSA-N -1 3 392.423 1.762 20 50 GDGDHM Cc1cccc([C@H]2CCCN2C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822299817 946048963 /nfs/dbraw/zinc/04/89/63/946048963.db2.gz VTFBYWTWMWRYHI-MRXNPFEDSA-N -1 3 392.423 1.762 20 50 GDGDHM Cc1nn(C)c(C)c1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822487054 946102252 /nfs/dbraw/zinc/10/22/52/946102252.db2.gz ZKJRZGGIDIDNEC-UHFFFAOYSA-N -1 3 380.334 1.993 20 50 GDGDHM Cc1nn(C)c(C)c1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822487054 946102259 /nfs/dbraw/zinc/10/22/59/946102259.db2.gz ZKJRZGGIDIDNEC-UHFFFAOYSA-N -1 3 380.334 1.993 20 50 GDGDHM Cn1cc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1=O ZINC000822669887 946150588 /nfs/dbraw/zinc/15/05/88/946150588.db2.gz TXBXVPIWZUBYQS-UHFFFAOYSA-N -1 3 379.302 1.341 20 50 GDGDHM Cn1cc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1=O ZINC000822669887 946150593 /nfs/dbraw/zinc/15/05/93/946150593.db2.gz TXBXVPIWZUBYQS-UHFFFAOYSA-N -1 3 379.302 1.341 20 50 GDGDHM O=C(CCCc1ccccc1)NNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822959066 946235264 /nfs/dbraw/zinc/23/52/64/946235264.db2.gz PVUYMZZUJXDBSQ-UHFFFAOYSA-N -1 3 397.414 1.859 20 50 GDGDHM O=C(CCCc1ccccc1)NNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822959066 946235274 /nfs/dbraw/zinc/23/52/74/946235274.db2.gz PVUYMZZUJXDBSQ-UHFFFAOYSA-N -1 3 397.414 1.859 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCC(C1CC1)C1CC1 ZINC000823037169 946287459 /nfs/dbraw/zinc/28/74/59/946287459.db2.gz RPIPJIBCOHGDMT-UHFFFAOYSA-N -1 3 385.428 1.012 20 50 GDGDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NNc1cccc(F)c1F ZINC000823215440 946347238 /nfs/dbraw/zinc/34/72/38/946347238.db2.gz NSZQGMGUFAYBTL-UHFFFAOYSA-N -1 3 375.339 1.850 20 50 GDGDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NNC(=O)c1cccc(Cl)c1 ZINC000823238996 946353988 /nfs/dbraw/zinc/35/39/88/946353988.db2.gz WFNFRXVCZCOAEW-UHFFFAOYSA-N -1 3 389.778 1.803 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823277205 946395999 /nfs/dbraw/zinc/39/59/99/946395999.db2.gz GWGWHKKNGYNSQJ-HOTGVXAUSA-N -1 3 377.408 1.442 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823277205 946396008 /nfs/dbraw/zinc/39/60/08/946396008.db2.gz GWGWHKKNGYNSQJ-HOTGVXAUSA-N -1 3 377.408 1.442 20 50 GDGDHM O=C(NNC(=O)N1Cc2ccccc2C(F)(F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277316 946400509 /nfs/dbraw/zinc/40/05/09/946400509.db2.gz KDGPASCUIHDWDN-UHFFFAOYSA-N -1 3 399.361 1.829 20 50 GDGDHM O=C(NNC(=O)N1Cc2ccccc2C(F)(F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277316 946400516 /nfs/dbraw/zinc/40/05/16/946400516.db2.gz KDGPASCUIHDWDN-UHFFFAOYSA-N -1 3 399.361 1.829 20 50 GDGDHM CCc1cnccc1CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825739185 947307365 /nfs/dbraw/zinc/30/73/65/947307365.db2.gz AZAWYAHHDCFGPH-FRKPEAEDSA-N -1 3 376.424 1.694 20 50 GDGDHM CCc1cnccc1CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825739185 947307379 /nfs/dbraw/zinc/30/73/79/947307379.db2.gz AZAWYAHHDCFGPH-FRKPEAEDSA-N -1 3 376.424 1.694 20 50 GDGDHM C=C[C@@H]1OCC[C@H]1NC(=O)NNc1cc(-c2nnn[n-]2)ccc1Br ZINC001573352018 947623999 /nfs/dbraw/zinc/62/39/99/947623999.db2.gz SNGGRYVRYYNANN-PWSUYJOCSA-N -1 3 394.233 1.599 20 50 GDGDHM C=C[C@@H]1OCC[C@H]1NC(=O)NNc1cc(-c2nn[n-]n2)ccc1Br ZINC001573352018 947624009 /nfs/dbraw/zinc/62/40/09/947624009.db2.gz SNGGRYVRYYNANN-PWSUYJOCSA-N -1 3 394.233 1.599 20 50 GDGDHM CS[C@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000826226241 947665346 /nfs/dbraw/zinc/66/53/46/947665346.db2.gz VOHGFCOLAWNSLX-GFCCVEGCSA-N -1 3 377.474 1.588 20 50 GDGDHM CS[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000826226241 947665351 /nfs/dbraw/zinc/66/53/51/947665351.db2.gz VOHGFCOLAWNSLX-GFCCVEGCSA-N -1 3 377.474 1.588 20 50 GDGDHM CS[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000826226242 947665552 /nfs/dbraw/zinc/66/55/52/947665552.db2.gz VOHGFCOLAWNSLX-LBPRGKRZSA-N -1 3 377.474 1.588 20 50 GDGDHM CS[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000826226242 947665556 /nfs/dbraw/zinc/66/55/56/947665556.db2.gz VOHGFCOLAWNSLX-LBPRGKRZSA-N -1 3 377.474 1.588 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826445057 948308213 /nfs/dbraw/zinc/30/82/13/948308213.db2.gz FGTIISDHVJITCA-KRWDZBQOSA-N -1 3 392.419 1.836 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826445057 948308220 /nfs/dbraw/zinc/30/82/20/948308220.db2.gz FGTIISDHVJITCA-KRWDZBQOSA-N -1 3 392.419 1.836 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000826446508 948312548 /nfs/dbraw/zinc/31/25/48/948312548.db2.gz OLQHVVWRZPYWBX-KBPBESRZSA-N -1 3 397.420 1.014 20 50 GDGDHM COCCOC(=O)c1c(C)[nH]c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826160562 607335398 /nfs/dbraw/zinc/33/53/98/607335398.db2.gz WZKYXVKOLOVAKX-UHFFFAOYSA-N -1 3 399.411 1.372 20 50 GDGDHM COCCOC(=O)c1c(C)[nH]c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826160562 607335399 /nfs/dbraw/zinc/33/53/99/607335399.db2.gz WZKYXVKOLOVAKX-UHFFFAOYSA-N -1 3 399.411 1.372 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000826446801 607346236 /nfs/dbraw/zinc/34/62/36/607346236.db2.gz YZNATKIWOVEQKJ-CVEARBPZSA-N -1 3 383.456 1.739 20 50 GDGDHM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826407661 607346994 /nfs/dbraw/zinc/34/69/94/607346994.db2.gz WFPOJRGQRFGQAX-UHFFFAOYSA-N -1 3 396.367 1.038 20 50 GDGDHM COc1ccc(N2C[C@@H](C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CC2=O)cc1 ZINC000826208860 607351427 /nfs/dbraw/zinc/35/14/27/607351427.db2.gz CQEVWVLGFCPSDL-ZDUSSCGKSA-N -1 3 393.407 1.372 20 50 GDGDHM Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CC2=O)cc1F ZINC000826289563 607351684 /nfs/dbraw/zinc/35/16/84/607351684.db2.gz FVRWUVRNSUXANO-ZDUSSCGKSA-N -1 3 395.398 1.810 20 50 GDGDHM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824108497 607353525 /nfs/dbraw/zinc/35/35/25/607353525.db2.gz GWIITSZOBVABOG-LBPRGKRZSA-N -1 3 391.457 1.620 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000826447070 607353579 /nfs/dbraw/zinc/35/35/79/607353579.db2.gz LPPNDVCQZPMLID-UHFFFAOYSA-N -1 3 391.391 1.273 20 50 GDGDHM CCN(CC)C(=O)N1CCC(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825406553 607356539 /nfs/dbraw/zinc/35/65/39/607356539.db2.gz ONVQAEGAUIXOPH-UHFFFAOYSA-N -1 3 386.460 1.484 20 50 GDGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H](O)C1CCOCC1 ZINC000826446465 607395681 /nfs/dbraw/zinc/39/56/81/607395681.db2.gz MQFKDUWCBQCOAU-GFCCVEGCSA-N -1 3 386.334 1.116 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H](O)C1CCOCC1 ZINC000826446465 607395682 /nfs/dbraw/zinc/39/56/82/607395682.db2.gz MQFKDUWCBQCOAU-GFCCVEGCSA-N -1 3 386.334 1.116 20 50 GDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000826447379 607463720 /nfs/dbraw/zinc/46/37/20/607463720.db2.gz CCRWRPQZOKAKDY-GOSISDBHSA-N -1 3 393.451 1.508 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000826447379 607463722 /nfs/dbraw/zinc/46/37/22/607463722.db2.gz CCRWRPQZOKAKDY-GOSISDBHSA-N -1 3 393.451 1.508 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=C1CCc2c1c(F)ccc2F ZINC000826417350 607531430 /nfs/dbraw/zinc/53/14/30/607531430.db2.gz NVLCJQRHRMTGMD-UHFFFAOYSA-N -1 3 384.346 1.990 20 50 GDGDHM COc1ccc([C@@H](CC(=O)NNc2cccc(-c3nnn[n-]3)c2)NC(C)=O)cc1 ZINC000826188972 607716990 /nfs/dbraw/zinc/71/69/90/607716990.db2.gz KSIUNYNFOPABDZ-QGZVFWFLSA-N -1 3 395.423 1.586 20 50 GDGDHM COc1ccc([C@@H](CC(=O)NNc2cccc(-c3nn[n-]n3)c2)NC(C)=O)cc1 ZINC000826188972 607716992 /nfs/dbraw/zinc/71/69/92/607716992.db2.gz KSIUNYNFOPABDZ-QGZVFWFLSA-N -1 3 395.423 1.586 20 50 GDGDHM CC1(C)CC(=O)c2cc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)c(=O)[nH]c2C1 ZINC000824788674 607718694 /nfs/dbraw/zinc/71/86/94/607718694.db2.gz CFGCNVJBEGPBTI-UHFFFAOYSA-N -1 3 393.407 1.879 20 50 GDGDHM CC1(C)CC(=O)c2cc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c(=O)[nH]c2C1 ZINC000824788674 607718697 /nfs/dbraw/zinc/71/86/97/607718697.db2.gz CFGCNVJBEGPBTI-UHFFFAOYSA-N -1 3 393.407 1.879 20 50 GDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccn(Cc2ccccc2)c1=O ZINC000826448704 607721823 /nfs/dbraw/zinc/72/18/23/607721823.db2.gz HRMFRDHLVNJKQB-UHFFFAOYSA-N -1 3 387.403 1.834 20 50 GDGDHM CCc1ccccc1N1C[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000825723267 607731502 /nfs/dbraw/zinc/73/15/02/607731502.db2.gz WBIBGTDUBZNKJS-HNNXBMFYSA-N -1 3 391.435 1.925 20 50 GDGDHM CCc1ccccc1N1C[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000825723267 607731504 /nfs/dbraw/zinc/73/15/04/607731504.db2.gz WBIBGTDUBZNKJS-HNNXBMFYSA-N -1 3 391.435 1.925 20 50 GDGDHM O=C(NNc1c(F)cc(C(=O)NC2CC2)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000823280594 606968823 /nfs/dbraw/zinc/96/88/23/606968823.db2.gz COEMOXLZNWEQGI-UHFFFAOYSA-N -1 3 399.361 1.794 20 50 GDGDHM O=C(NNc1c(F)cc(C(=O)NC2CC2)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000823280594 606968825 /nfs/dbraw/zinc/96/88/25/606968825.db2.gz COEMOXLZNWEQGI-UHFFFAOYSA-N -1 3 399.361 1.794 20 50 GDGDHM Cc1ccc(Cl)cc1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826289079 607793223 /nfs/dbraw/zinc/79/32/23/607793223.db2.gz JUCBRIJOSZGZSP-UHFFFAOYSA-N -1 3 386.799 1.669 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)CCc2nccs2)cc(-c2nnn[n-]2)n1C ZINC000826235369 607808881 /nfs/dbraw/zinc/80/88/81/607808881.db2.gz INGLPIXMKKDQGP-JYRVWZFOSA-N -1 3 382.453 1.578 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)CCc2nccs2)cc(-c2nn[n-]n2)n1C ZINC000826235369 607808882 /nfs/dbraw/zinc/80/88/82/607808882.db2.gz INGLPIXMKKDQGP-JYRVWZFOSA-N -1 3 382.453 1.578 20 50 GDGDHM CCOc1nc2sccn2c1C=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825658226 607816226 /nfs/dbraw/zinc/81/62/26/607816226.db2.gz BSEDBBJZZWJPNT-UHFFFAOYSA-N -1 3 382.409 1.739 20 50 GDGDHM Cc1cnc(CCN(C)C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)s1 ZINC000826318621 607862211 /nfs/dbraw/zinc/86/22/11/607862211.db2.gz SDNZNPYBGUYKAH-VGOFMYFVSA-N -1 3 396.480 1.887 20 50 GDGDHM Cc1cnc(CCN(C)C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)s1 ZINC000826318621 607862212 /nfs/dbraw/zinc/86/22/12/607862212.db2.gz SDNZNPYBGUYKAH-VGOFMYFVSA-N -1 3 396.480 1.887 20 50 GDGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1ccc(C(F)(F)F)nn1 ZINC000826402288 607862473 /nfs/dbraw/zinc/86/24/73/607862473.db2.gz QHKHBHCUYBVMSV-VMPITWQZSA-N -1 3 376.302 1.832 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826417108 607879914 /nfs/dbraw/zinc/87/99/14/607879914.db2.gz DOTBAELMYUCGIS-NUEKZKHPSA-N -1 3 398.467 1.999 20 50 GDGDHM Cn1cc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000826359997 607882129 /nfs/dbraw/zinc/88/21/29/607882129.db2.gz UYCKMJSVGQLULP-UHFFFAOYSA-N -1 3 375.392 1.888 20 50 GDGDHM CN1C(=O)C[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000826010456 607995370 /nfs/dbraw/zinc/99/53/70/607995370.db2.gz JSRSQZMQZIRFHW-WBVHZDCISA-N -1 3 395.398 1.669 20 50 GDGDHM Cc1cc(S(C)(=O)=O)cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826272272 607995694 /nfs/dbraw/zinc/99/56/94/607995694.db2.gz BIFHCYTUFVZHIE-UHFFFAOYSA-N -1 3 386.437 1.644 20 50 GDGDHM O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826441364 608220456 /nfs/dbraw/zinc/22/04/56/608220456.db2.gz ANGYTQPPMGBKSR-UHFFFAOYSA-N -1 3 389.828 1.348 20 50 GDGDHM O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826441364 608220457 /nfs/dbraw/zinc/22/04/57/608220457.db2.gz ANGYTQPPMGBKSR-UHFFFAOYSA-N -1 3 389.828 1.348 20 50 GDGDHM CCn1c(C)nnc1COC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825782336 608253277 /nfs/dbraw/zinc/25/32/77/608253277.db2.gz DBVCHNFONMPRMB-AWNIVKPZSA-N -1 3 381.400 1.084 20 50 GDGDHM CCn1c(C)nnc1COC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825782336 608253279 /nfs/dbraw/zinc/25/32/79/608253279.db2.gz DBVCHNFONMPRMB-AWNIVKPZSA-N -1 3 381.400 1.084 20 50 GDGDHM CN(C)C(=O)c1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000825846384 608814112 /nfs/dbraw/zinc/81/41/12/608814112.db2.gz ZHOJUVCZYFEGCA-UHFFFAOYSA-N -1 3 384.375 1.856 20 50 GDGDHM CN(C)C(=O)c1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000825846384 608814115 /nfs/dbraw/zinc/81/41/15/608814115.db2.gz ZHOJUVCZYFEGCA-UHFFFAOYSA-N -1 3 384.375 1.856 20 50 GDGDHM CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948407 609157441 /nfs/dbraw/zinc/15/74/41/609157441.db2.gz LFFBVILTQOJKKK-UHFFFAOYSA-N -1 3 399.342 1.833 20 50 GDGDHM CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948407 609157443 /nfs/dbraw/zinc/15/74/43/609157443.db2.gz LFFBVILTQOJKKK-UHFFFAOYSA-N -1 3 399.342 1.833 20 50 GDGDHM COc1ccc(NCC(=O)NN=C(C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826210361 609158482 /nfs/dbraw/zinc/15/84/82/609158482.db2.gz ODJSZZGMYYWERX-UHFFFAOYSA-N -1 3 383.387 1.967 20 50 GDGDHM COc1ccc(NCC(=O)NN=C(C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826210361 609158484 /nfs/dbraw/zinc/15/84/84/609158484.db2.gz ODJSZZGMYYWERX-UHFFFAOYSA-N -1 3 383.387 1.967 20 50 GDGDHM C=CCN(CC(=O)NNC(=O)c1ccccc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823904273 609267881 /nfs/dbraw/zinc/26/78/81/609267881.db2.gz YYZSVHVCDRWLSD-UHFFFAOYSA-N -1 3 391.435 1.316 20 50 GDGDHM C=CCN(CC(=O)NNC(=O)c1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823904273 609267883 /nfs/dbraw/zinc/26/78/83/609267883.db2.gz YYZSVHVCDRWLSD-UHFFFAOYSA-N -1 3 391.435 1.316 20 50 GDGDHM Cc1c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cnn1C1CCCCC1 ZINC000826233971 609282634 /nfs/dbraw/zinc/28/26/34/609282634.db2.gz BXUKUZFRCZMAFZ-UHFFFAOYSA-N -1 3 394.439 1.952 20 50 GDGDHM Cc1n[nH]cc1C(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826322602 609306119 /nfs/dbraw/zinc/30/61/19/609306119.db2.gz UASOYKIGUSTCNV-UHFFFAOYSA-N -1 3 376.384 1.063 20 50 GDGDHM CC(=Cc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823942324 609408003 /nfs/dbraw/zinc/40/80/03/609408003.db2.gz BCOPEFICQUUZBK-KAMYIIQDSA-N -1 3 392.419 1.805 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cccc(CCCO)c2)cc(-c2nnn[n-]2)n1C ZINC000826235670 609428147 /nfs/dbraw/zinc/42/81/47/609428147.db2.gz OQVVOIUOCLKFEX-YBEGLDIGSA-N -1 3 391.435 1.984 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cccc(CCCO)c2)cc(-c2nn[n-]n2)n1C ZINC000826235670 609428148 /nfs/dbraw/zinc/42/81/48/609428148.db2.gz OQVVOIUOCLKFEX-YBEGLDIGSA-N -1 3 391.435 1.984 20 50 GDGDHM COc1ccc(C=NNC(=O)CCNC(=O)OC(C)(C)C)cc1-c1nnn[n-]1 ZINC000826190772 609519528 /nfs/dbraw/zinc/51/95/28/609519528.db2.gz MVMXQZBBVQFIAU-UHFFFAOYSA-N -1 3 389.416 1.240 20 50 GDGDHM COc1ccc(C=NNC(=O)CCNC(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC000826190772 609519529 /nfs/dbraw/zinc/51/95/29/609519529.db2.gz MVMXQZBBVQFIAU-UHFFFAOYSA-N -1 3 389.416 1.240 20 50 GDGDHM Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737508505 945086076 /nfs/dbraw/zinc/08/60/76/945086076.db2.gz GQTZLSKDXGHCLT-UHFFFAOYSA-N -1 3 382.428 1.510 20 50 GDGDHM O=C(CCCc1cccs1)NNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000737836948 945135385 /nfs/dbraw/zinc/13/53/85/945135385.db2.gz QUKDOWYBFMJKKW-UHFFFAOYSA-N -1 3 386.437 1.477 20 50 GDGDHM O=C(CCCc1cccs1)NNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000737836948 945135391 /nfs/dbraw/zinc/13/53/91/945135391.db2.gz QUKDOWYBFMJKKW-UHFFFAOYSA-N -1 3 386.437 1.477 20 50 GDGDHM O=C(CCc1ccccc1O)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737857174 945140654 /nfs/dbraw/zinc/14/06/54/945140654.db2.gz NVMGFHCNDFIZJS-UHFFFAOYSA-N -1 3 376.380 1.303 20 50 GDGDHM O=C(CCc1ccccc1O)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737857174 945140656 /nfs/dbraw/zinc/14/06/56/945140656.db2.gz NVMGFHCNDFIZJS-UHFFFAOYSA-N -1 3 376.380 1.303 20 50 GDGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1cccc2ccccc21 ZINC000737895319 945148641 /nfs/dbraw/zinc/14/86/41/945148641.db2.gz OOZZKFZNVWUJBF-UHFFFAOYSA-N -1 3 387.403 1.893 20 50 GDGDHM O=C(NCC1(c2ccccc2)CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738040655 945175421 /nfs/dbraw/zinc/17/54/21/945175421.db2.gz RWNQQOZTBHPNFM-UHFFFAOYSA-N -1 3 377.408 1.543 20 50 GDGDHM O=C(NCC1(c2ccccc2)CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738040655 945175425 /nfs/dbraw/zinc/17/54/25/945175425.db2.gz RWNQQOZTBHPNFM-UHFFFAOYSA-N -1 3 377.408 1.543 20 50 GDGDHM O=C(NCCc1ccc(F)cc1F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738087624 945185812 /nfs/dbraw/zinc/18/58/12/945185812.db2.gz IEKSTXZCQXNOKF-UHFFFAOYSA-N -1 3 387.350 1.332 20 50 GDGDHM O=C(NCCc1ccc(F)cc1F)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738087624 945185817 /nfs/dbraw/zinc/18/58/17/945185817.db2.gz IEKSTXZCQXNOKF-UHFFFAOYSA-N -1 3 387.350 1.332 20 50 GDGDHM O=C(NN=Cc1ccc(-c2nnn[n-]2)cc1)C1CCN(c2ncccn2)CC1 ZINC000738128784 945199185 /nfs/dbraw/zinc/19/91/85/945199185.db2.gz MZIYABQVBKPNKW-UHFFFAOYSA-N -1 3 377.412 1.023 20 50 GDGDHM O=C(NN=Cc1ccc(-c2nn[n-]n2)cc1)C1CCN(c2ncccn2)CC1 ZINC000738128784 945199187 /nfs/dbraw/zinc/19/91/87/945199187.db2.gz MZIYABQVBKPNKW-UHFFFAOYSA-N -1 3 377.412 1.023 20 50 GDGDHM O=C(NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738129363 945200145 /nfs/dbraw/zinc/20/01/45/945200145.db2.gz ACHVONCYFDDVPY-VXGBXAGGSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738129363 945200153 /nfs/dbraw/zinc/20/01/53/945200153.db2.gz ACHVONCYFDDVPY-VXGBXAGGSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130142 945206808 /nfs/dbraw/zinc/20/68/08/945206808.db2.gz LQBQOEVLZFEUMN-AWEZNQCLSA-N -1 3 384.783 1.285 20 50 GDGDHM O=C(NNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130142 945206818 /nfs/dbraw/zinc/20/68/18/945206818.db2.gz LQBQOEVLZFEUMN-AWEZNQCLSA-N -1 3 384.783 1.285 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)Nc1ccc(N2CCCC2)nc1 ZINC000738134468 945221606 /nfs/dbraw/zinc/22/16/06/945221606.db2.gz NULGVADZCGPPCC-UHFFFAOYSA-N -1 3 393.411 1.328 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)Nc1ccc(N2CCCC2)nc1 ZINC000738134468 945221610 /nfs/dbraw/zinc/22/16/10/945221610.db2.gz NULGVADZCGPPCC-UHFFFAOYSA-N -1 3 393.411 1.328 20 50 GDGDHM O=C(NNC(=O)N1CC[C@H](c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738136312 945233563 /nfs/dbraw/zinc/23/35/63/945233563.db2.gz IZWBXVVFNRMSSX-INIZCTEOSA-N -1 3 377.408 1.711 20 50 GDGDHM O=C(NNC(=O)N1CC[C@H](c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738136312 945233572 /nfs/dbraw/zinc/23/35/72/945233572.db2.gz IZWBXVVFNRMSSX-INIZCTEOSA-N -1 3 377.408 1.711 20 50 GDGDHM O=C(NNc1cccnn1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738136506 945236059 /nfs/dbraw/zinc/23/60/59/945236059.db2.gz GCBVAXDOFVZLTQ-UHFFFAOYSA-N -1 3 378.352 1.586 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CCc2ccccc2C1 ZINC000738136876 945237371 /nfs/dbraw/zinc/23/73/71/945237371.db2.gz OCDNZDAIDYZOEY-INIZCTEOSA-N -1 3 377.408 1.368 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CCc2ccccc2C1 ZINC000738136876 945237381 /nfs/dbraw/zinc/23/73/81/945237381.db2.gz OCDNZDAIDYZOEY-INIZCTEOSA-N -1 3 377.408 1.368 20 50 GDGDHM CC(C)(C)n1ncc2c1nc(NNC(=O)c1cccc(-c3nnn[n-]3)c1)[nH]c2=O 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Cc1cccc(OCCCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737401059 945059805 /nfs/dbraw/zinc/05/98/05/945059805.db2.gz JPOQUZPUUNIPNJ-UHFFFAOYSA-N -1 3 380.408 1.795 20 50 GDGDHM Cc1cccc(OCCCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737401059 945059815 /nfs/dbraw/zinc/05/98/15/945059815.db2.gz JPOQUZPUUNIPNJ-UHFFFAOYSA-N -1 3 380.408 1.795 20 50 GDGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=S)Nc1ccccn1 ZINC000820529646 945477087 /nfs/dbraw/zinc/47/70/87/945477087.db2.gz QULISVJVCYAYCF-SNVBAGLBSA-N -1 3 384.425 1.047 20 50 GDGDHM C[C@@]1(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCc2ccccc2C1 ZINC000820577038 945487790 /nfs/dbraw/zinc/48/77/90/945487790.db2.gz HJBYPJLMRLVYPN-HXUWFJFHSA-N -1 3 376.420 1.823 20 50 GDGDHM C[C@@]1(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCc2ccccc2C1 ZINC000820577038 945487793 /nfs/dbraw/zinc/48/77/93/945487793.db2.gz HJBYPJLMRLVYPN-HXUWFJFHSA-N -1 3 376.420 1.823 20 50 GDGDHM CC1(C)CCCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820596365 945495908 /nfs/dbraw/zinc/49/59/08/945495908.db2.gz OKKFYUSOBLVKEI-AWEZNQCLSA-N -1 3 387.444 1.545 20 50 GDGDHM CC1(C)CCCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820596365 945495917 /nfs/dbraw/zinc/49/59/17/945495917.db2.gz OKKFYUSOBLVKEI-AWEZNQCLSA-N -1 3 387.444 1.545 20 50 GDGDHM CCC(C)(C)NC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000820848179 945569546 /nfs/dbraw/zinc/56/95/46/945569546.db2.gz SOPJIMQBDCDSDU-QENILXLESA-N -1 3 399.455 1.657 20 50 GDGDHM CCC(C)(C)NC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000820848179 945569555 /nfs/dbraw/zinc/56/95/55/945569555.db2.gz SOPJIMQBDCDSDU-QENILXLESA-N -1 3 399.455 1.657 20 50 GDGDHM CCC(CC)(CC)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820882570 945582686 /nfs/dbraw/zinc/58/26/86/945582686.db2.gz UIYBSBXSAXMAQW-UHFFFAOYSA-N -1 3 388.428 1.387 20 50 GDGDHM CCC(CC)(CC)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820882570 945582692 /nfs/dbraw/zinc/58/26/92/945582692.db2.gz UIYBSBXSAXMAQW-UHFFFAOYSA-N -1 3 388.428 1.387 20 50 GDGDHM CCC1(CC)[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1OC ZINC000820958460 945599457 /nfs/dbraw/zinc/59/94/57/945599457.db2.gz VNSVLPUFCBUURD-KGLIPLIRSA-N -1 3 387.444 1.404 20 50 GDGDHM CCC1(CC)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1OC ZINC000820958460 945599458 /nfs/dbraw/zinc/59/94/58/945599458.db2.gz VNSVLPUFCBUURD-KGLIPLIRSA-N -1 3 387.444 1.404 20 50 GDGDHM CCOCCC1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000821373819 945687263 /nfs/dbraw/zinc/68/72/63/945687263.db2.gz MPQLKHUVFKMXJP-UHFFFAOYSA-N -1 3 387.444 1.408 20 50 GDGDHM CCOCCC1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000821373819 945687268 /nfs/dbraw/zinc/68/72/68/945687268.db2.gz MPQLKHUVFKMXJP-UHFFFAOYSA-N -1 3 387.444 1.408 20 50 GDGDHM CCc1nc2ccccc2n1CC(=O)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821510021 945712117 /nfs/dbraw/zinc/71/21/17/945712117.db2.gz SMFFSOYLQHOBLF-UHFFFAOYSA-N -1 3 380.437 1.991 20 50 GDGDHM CCc1nc2ccccc2n1CC(=O)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821510021 945712130 /nfs/dbraw/zinc/71/21/30/945712130.db2.gz SMFFSOYLQHOBLF-UHFFFAOYSA-N -1 3 380.437 1.991 20 50 GDGDHM COc1cc(C)c(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821708743 945843549 /nfs/dbraw/zinc/84/35/49/945843549.db2.gz YKNZQEXQLILUOK-UHFFFAOYSA-N -1 3 396.407 1.721 20 50 GDGDHM CS(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821936779 945906636 /nfs/dbraw/zinc/90/66/36/945906636.db2.gz FJLLCGKCVMAGIL-UHFFFAOYSA-N -1 3 376.423 1.096 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cnn(CC(C)C)c2)cc(-c2nn[n-]n2)n1C ZINC000822027582 945933477 /nfs/dbraw/zinc/93/34/77/945933477.db2.gz IMXKPDSFKNEDAA-LHHJGKSTSA-N -1 3 379.428 1.912 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](C)C(=O)OC(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027988 945938555 /nfs/dbraw/zinc/93/85/55/945938555.db2.gz KRSKZYFBBWTDLP-JBARUQGQSA-N -1 3 385.428 1.125 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](C)C(=O)OC(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027988 945938558 /nfs/dbraw/zinc/93/85/58/945938558.db2.gz KRSKZYFBBWTDLP-JBARUQGQSA-N -1 3 385.428 1.125 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2ccccc2N(C)C)cc(-c2nnn[n-]2)n1C ZINC000822028134 945938669 /nfs/dbraw/zinc/93/86/69/945938669.db2.gz LNWZHBAGKWOGGV-CXUHLZMHSA-N -1 3 390.451 1.803 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCc2ccccc2N(C)C)cc(-c2nn[n-]n2)n1C ZINC000822028134 945938671 /nfs/dbraw/zinc/93/86/71/945938671.db2.gz LNWZHBAGKWOGGV-CXUHLZMHSA-N -1 3 390.451 1.803 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@]3(CCCOC3)C2)cc(-c2nnn[n-]2)n1C ZINC000822028549 945943592 /nfs/dbraw/zinc/94/35/92/945943592.db2.gz PODCEICBKNXEOS-CPYXBQISSA-N -1 3 395.467 1.840 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@]3(CCCOC3)C2)cc(-c2nn[n-]n2)n1C ZINC000822028549 945943598 /nfs/dbraw/zinc/94/35/98/945943598.db2.gz PODCEICBKNXEOS-CPYXBQISSA-N -1 3 395.467 1.840 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2cccc(F)c2)cc(-c2nnn[n-]2)n1C ZINC000822029068 945952251 /nfs/dbraw/zinc/95/22/51/945952251.db2.gz UZTJGZMICSEUTK-ZZZKQGFOSA-N -1 3 395.398 1.410 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2cccc(F)c2)cc(-c2nn[n-]n2)n1C ZINC000822029068 945952261 /nfs/dbraw/zinc/95/22/61/945952261.db2.gz UZTJGZMICSEUTK-ZZZKQGFOSA-N -1 3 395.398 1.410 20 50 GDGDHM Cc1cccc([C@H]2CCCN2C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822299434 946048120 /nfs/dbraw/zinc/04/81/20/946048120.db2.gz IVRXNKCYYJTSLQ-MRXNPFEDSA-N -1 3 392.423 1.762 20 50 GDGDHM Cc1cccc([C@H]2CCCN2C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822299434 946048132 /nfs/dbraw/zinc/04/81/32/946048132.db2.gz IVRXNKCYYJTSLQ-MRXNPFEDSA-N -1 3 392.423 1.762 20 50 GDGDHM Cc1noc(CCCOC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000822528200 946113236 /nfs/dbraw/zinc/11/32/36/946113236.db2.gz WVMMSKYDCVUVOL-QPEQYQDCSA-N -1 3 382.384 1.288 20 50 GDGDHM Cc1noc(CCCOC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000822528200 946113245 /nfs/dbraw/zinc/11/32/45/946113245.db2.gz WVMMSKYDCVUVOL-QPEQYQDCSA-N -1 3 382.384 1.288 20 50 GDGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)c1cccc(Br)c1 ZINC000822645972 946147754 /nfs/dbraw/zinc/14/77/54/946147754.db2.gz ZIUNWZOMSZQDKI-UHFFFAOYSA-N -1 3 390.201 1.043 20 50 GDGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)c1cccc(Br)c1 ZINC000822645972 946147760 /nfs/dbraw/zinc/14/77/60/946147760.db2.gz ZIUNWZOMSZQDKI-UHFFFAOYSA-N -1 3 390.201 1.043 20 50 GDGDHM O=C(CN1CC[C@H]1c1cccc(F)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822991329 946248779 /nfs/dbraw/zinc/24/87/79/946248779.db2.gz AJMGBEYGBPUZNM-INIZCTEOSA-N -1 3 395.398 1.214 20 50 GDGDHM O=C(CN1CC[C@H]1c1cccc(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822991329 946248790 /nfs/dbraw/zinc/24/87/90/946248790.db2.gz AJMGBEYGBPUZNM-INIZCTEOSA-N -1 3 395.398 1.214 20 50 GDGDHM O=C(/C=C\C1CCCCC1)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018518 946273806 /nfs/dbraw/zinc/27/38/06/946273806.db2.gz QESVYYRXJNIYIC-WDZFZDKYSA-N -1 3 398.423 1.307 20 50 GDGDHM O=C(/C=C\C1CCCCC1)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018518 946273817 /nfs/dbraw/zinc/27/38/17/946273817.db2.gz QESVYYRXJNIYIC-WDZFZDKYSA-N -1 3 398.423 1.307 20 50 GDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000823036367 946283826 /nfs/dbraw/zinc/28/38/26/946283826.db2.gz AIPVLUBMLXLBRK-NWANDNLSSA-N -1 3 399.455 1.545 20 50 GDGDHM CC(C)(C)[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824071599 946575049 /nfs/dbraw/zinc/57/50/49/946575049.db2.gz KPDRZPLXNLDYOA-KGLIPLIRSA-N -1 3 387.444 1.404 20 50 GDGDHM CC(C)(C)[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824071599 946575056 /nfs/dbraw/zinc/57/50/56/946575056.db2.gz KPDRZPLXNLDYOA-KGLIPLIRSA-N -1 3 387.444 1.404 20 50 GDGDHM COc1cccc(CC(C)=NNC(=O)COc2ccccc2-c2nnn[n-]2)n1 ZINC000826215021 947629575 /nfs/dbraw/zinc/62/95/75/947629575.db2.gz DLKQSXBXQBKFDY-UHFFFAOYSA-N -1 3 381.396 1.384 20 50 GDGDHM COc1cccc(CC(C)=NNC(=O)COc2ccccc2-c2nn[n-]n2)n1 ZINC000826215021 947629581 /nfs/dbraw/zinc/62/95/81/947629581.db2.gz DLKQSXBXQBKFDY-UHFFFAOYSA-N -1 3 381.396 1.384 20 50 GDGDHM CS(=O)(=O)c1cccc(NNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826224130 947662967 /nfs/dbraw/zinc/66/29/67/947662967.db2.gz POICQEBBRVPUSP-UHFFFAOYSA-N -1 3 391.388 1.558 20 50 GDGDHM CS(=O)(=O)c1cccc(NNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826224130 947662974 /nfs/dbraw/zinc/66/29/74/947662974.db2.gz POICQEBBRVPUSP-UHFFFAOYSA-N -1 3 391.388 1.558 20 50 GDGDHM Cc1sc2ncc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c(=O)n2c1C ZINC000826350505 948098387 /nfs/dbraw/zinc/09/83/87/948098387.db2.gz ZFNTUFQZGPLMMR-UHFFFAOYSA-N -1 3 382.409 1.310 20 50 GDGDHM Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NNc2cccc(C(=O)[O-])c2F)cn1 ZINC001598579754 993324830 /nfs/dbraw/zinc/32/48/30/993324830.db2.gz VFZSDSVNAVMZPB-JSGCOSHPSA-N -1 3 375.404 1.436 20 50 GDGDHM O=C(CN1C(=S)N=NC1c1cccs1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826424646 607340815 /nfs/dbraw/zinc/34/08/15/607340815.db2.gz WQXUJMHRJISZRQ-UHFFFAOYSA-N -1 3 399.465 1.619 20 50 GDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000826446818 607341396 /nfs/dbraw/zinc/34/13/96/607341396.db2.gz ZXXZPRJKQNDVOW-LLVKDONJSA-N -1 3 399.361 1.641 20 50 GDGDHM O=C(CCn1cc(Br)cn1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409846 607342138 /nfs/dbraw/zinc/34/21/38/607342138.db2.gz RFDLSGWWJUYJOA-UHFFFAOYSA-N -1 3 377.206 1.359 20 50 GDGDHM O=C(CCC(=O)N1CCOc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826405030 607348512 /nfs/dbraw/zinc/34/85/12/607348512.db2.gz SXBPGTWIBIECNU-UHFFFAOYSA-N -1 3 393.407 1.516 20 50 GDGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)n1nnc(-c2ccccc2)n1 ZINC000824038907 607347654 /nfs/dbraw/zinc/34/76/54/607347654.db2.gz AMANRGDPJFNYAO-LLVKDONJSA-N -1 3 376.384 1.225 20 50 GDGDHM CN(C(=O)C1CC1)c1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825812956 607351560 /nfs/dbraw/zinc/35/15/60/607351560.db2.gz YTLHECXCGNVQFE-UHFFFAOYSA-N -1 3 377.408 1.996 20 50 GDGDHM Cc1cc2nc(C)c(CCC(=O)NNc3ccc(-c4nn[n-]n4)cc3)c(C)n2n1 ZINC000826272832 607352529 /nfs/dbraw/zinc/35/25/29/607352529.db2.gz DEWODWVIPXHLBC-UHFFFAOYSA-N -1 3 391.439 1.911 20 50 GDGDHM Cc1nc2ccnn2c(C)c1CCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826329207 607349090 /nfs/dbraw/zinc/34/90/90/607349090.db2.gz UFVGGJIMIDWRBV-UHFFFAOYSA-N -1 3 377.412 1.602 20 50 GDGDHM Cc1c(NNC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826243215 607395851 /nfs/dbraw/zinc/39/58/51/607395851.db2.gz ZCBIIQRGLBTJBA-LLVKDONJSA-N -1 3 383.368 1.994 20 50 GDGDHM Cc1c(NNC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826243215 607395852 /nfs/dbraw/zinc/39/58/52/607395852.db2.gz ZCBIIQRGLBTJBA-LLVKDONJSA-N -1 3 383.368 1.994 20 50 GDGDHM Cc1c(NNC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826242904 607396110 /nfs/dbraw/zinc/39/61/10/607396110.db2.gz LNJGOPJVZMYURB-NSHDSACASA-N -1 3 383.368 1.994 20 50 GDGDHM CS(=O)(=O)c1ccc(Cl)c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826224234 607729475 /nfs/dbraw/zinc/72/94/75/607729475.db2.gz VLJVLXZZZUTCGW-UHFFFAOYSA-N -1 3 392.828 1.681 20 50 GDGDHM CS(=O)(=O)c1ccc(Cl)c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826224234 607729476 /nfs/dbraw/zinc/72/94/76/607729476.db2.gz VLJVLXZZZUTCGW-UHFFFAOYSA-N -1 3 392.828 1.681 20 50 GDGDHM CCN(CCc1nccs1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825428108 607823153 /nfs/dbraw/zinc/82/31/53/607823153.db2.gz BUMMMCSKICUNGF-UHFFFAOYSA-N -1 3 386.441 1.242 20 50 GDGDHM CCN(CCc1nccs1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825428108 607823154 /nfs/dbraw/zinc/82/31/54/607823154.db2.gz BUMMMCSKICUNGF-UHFFFAOYSA-N -1 3 386.441 1.242 20 50 GDGDHM Cn1c2ccccc2nc1SCC(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826356489 607889676 /nfs/dbraw/zinc/88/96/76/607889676.db2.gz SPEZKPGKRJWXAY-UHFFFAOYSA-N -1 3 392.448 1.996 20 50 GDGDHM Cn1c2ccccc2nc1SCC(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826356489 607889677 /nfs/dbraw/zinc/88/96/77/607889677.db2.gz SPEZKPGKRJWXAY-UHFFFAOYSA-N -1 3 392.448 1.996 20 50 GDGDHM COc1ccc2c(c1)OC[C@H]2CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826212973 608025877 /nfs/dbraw/zinc/02/58/77/608025877.db2.gz HJTYRMNZGGFLAS-CYBMUJFWSA-N -1 3 394.391 1.203 20 50 GDGDHM COc1ccc2c(c1)OC[C@H]2CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826212973 608025878 /nfs/dbraw/zinc/02/58/78/608025878.db2.gz HJTYRMNZGGFLAS-CYBMUJFWSA-N -1 3 394.391 1.203 20 50 GDGDHM O=C(CN1CCc2c1cccc2Cl)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826411329 608165487 /nfs/dbraw/zinc/16/54/87/608165487.db2.gz UVYMDSMQUAQXDP-UHFFFAOYSA-N -1 3 397.826 1.344 20 50 GDGDHM O=C(CN1CCc2c1cccc2Cl)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826411329 608165488 /nfs/dbraw/zinc/16/54/88/608165488.db2.gz UVYMDSMQUAQXDP-UHFFFAOYSA-N -1 3 397.826 1.344 20 50 GDGDHM Cc1ccsc1[C@@H](CO)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826315252 608188110 /nfs/dbraw/zinc/18/81/10/608188110.db2.gz DISNJOQDJWQZQO-YGLIYXGISA-N -1 3 397.464 1.640 20 50 GDGDHM Cc1ccsc1[C@@H](CO)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826315252 608188111 /nfs/dbraw/zinc/18/81/11/608188111.db2.gz DISNJOQDJWQZQO-YGLIYXGISA-N -1 3 397.464 1.640 20 50 GDGDHM Cc1ccncc1[C@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826315159 608204979 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/nfs/dbraw/zinc/90/82/40/944908240.db2.gz INCUDJDMNWXNLN-AWEZNQCLSA-N -1 3 386.799 1.669 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000736896339 944908249 /nfs/dbraw/zinc/90/82/49/944908249.db2.gz INCUDJDMNWXNLN-AWEZNQCLSA-N -1 3 386.799 1.669 20 50 GDGDHM COC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736939361 944915262 /nfs/dbraw/zinc/91/52/62/944915262.db2.gz LLNJLBWGHJILCW-UHFFFAOYSA-N -1 3 381.352 1.120 20 50 GDGDHM COC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736939361 944915270 /nfs/dbraw/zinc/91/52/70/944915270.db2.gz LLNJLBWGHJILCW-UHFFFAOYSA-N -1 3 381.352 1.120 20 50 GDGDHM COCCOC1CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CC1 ZINC000737006507 944931489 /nfs/dbraw/zinc/93/14/89/944931489.db2.gz QUKVBAYQQYYGES-XNTDXEJSSA-N -1 3 399.455 1.075 20 50 GDGDHM COCCOC1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000737006507 944931492 /nfs/dbraw/zinc/93/14/92/944931492.db2.gz QUKVBAYQQYYGES-XNTDXEJSSA-N -1 3 399.455 1.075 20 50 GDGDHM COc1ccc(C=NNC(=O)c2ccc3c(c2)OCCO3)cc1-c1nnn[n-]1 ZINC000737080561 944950165 /nfs/dbraw/zinc/95/01/65/944950165.db2.gz CSAATCGBPSVMHT-UHFFFAOYSA-N -1 3 380.364 1.410 20 50 GDGDHM COc1ccc(C=NNC(=O)c2ccc3c(c2)OCCO3)cc1-c1nn[n-]n1 ZINC000737080561 944950171 /nfs/dbraw/zinc/95/01/71/944950171.db2.gz CSAATCGBPSVMHT-UHFFFAOYSA-N -1 3 380.364 1.410 20 50 GDGDHM COc1ccc(C=CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000737081260 944952479 /nfs/dbraw/zinc/95/24/79/944952479.db2.gz MMRRXCFYEFLCCJ-VQHVLOKHSA-N -1 3 394.391 1.358 20 50 GDGDHM COc1ccc(C=CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000737081260 944952485 /nfs/dbraw/zinc/95/24/85/944952485.db2.gz MMRRXCFYEFLCCJ-VQHVLOKHSA-N -1 3 394.391 1.358 20 50 GDGDHM COc1ccc(S[C@H](C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737114135 944961836 /nfs/dbraw/zinc/96/18/36/944961836.db2.gz FGQOTCUUCGRAMK-LLVKDONJSA-N -1 3 398.448 1.817 20 50 GDGDHM COc1ccc(S[C@H](C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737114135 944961844 /nfs/dbraw/zinc/96/18/44/944961844.db2.gz FGQOTCUUCGRAMK-LLVKDONJSA-N -1 3 398.448 1.817 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CCc2cccn2C)cc(-c2nnn[n-]2)n1C ZINC000737211569 944986869 /nfs/dbraw/zinc/98/68/69/944986869.db2.gz DBOFASHYXMTGNN-BVTUPMQUSA-N -1 3 392.467 1.897 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CCc2cccn2C)cc(-c2nn[n-]n2)n1C ZINC000737211569 944986876 /nfs/dbraw/zinc/98/68/76/944986876.db2.gz DBOFASHYXMTGNN-BVTUPMQUSA-N -1 3 392.467 1.897 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H]2Cn2cccn2)cc(-c2nn[n-]n2)n1C ZINC000737212422 944992789 /nfs/dbraw/zinc/99/27/89/944992789.db2.gz JAFGTFXIFMYXJC-TYWAAFNRSA-N -1 3 391.439 1.308 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cccc([S@](C)=O)c2)cc(-c2nnn[n-]2)n1C ZINC000737213315 945001721 /nfs/dbraw/zinc/00/17/21/945001721.db2.gz RNVHILDVXGQJAS-UVWIXSCGSA-N -1 3 395.448 1.797 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2cccc([S@](C)=O)c2)cc(-c2nn[n-]n2)n1C ZINC000737213315 945001730 /nfs/dbraw/zinc/00/17/30/945001730.db2.gz RNVHILDVXGQJAS-UVWIXSCGSA-N -1 3 395.448 1.797 20 50 GDGDHM Cc1c(NNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cccc1[N+](=O)[O-] ZINC000737220039 945014021 /nfs/dbraw/zinc/01/40/21/945014021.db2.gz VKAOBHZBNALKHH-UHFFFAOYSA-N -1 3 398.387 1.217 20 50 GDGDHM Cc1c(NNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cccc1[N+](=O)[O-] ZINC000737220039 945014031 /nfs/dbraw/zinc/01/40/31/945014031.db2.gz VKAOBHZBNALKHH-UHFFFAOYSA-N -1 3 398.387 1.217 20 50 GDGDHM Cc1cc(N(C)C)ccc1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737269271 945025205 /nfs/dbraw/zinc/02/52/05/945025205.db2.gz BCQLHRIJUFFULT-UHFFFAOYSA-N -1 3 394.439 1.385 20 50 GDGDHM Cc1cc(N(C)C)ccc1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737269271 945025214 /nfs/dbraw/zinc/02/52/14/945025214.db2.gz BCQLHRIJUFFULT-UHFFFAOYSA-N -1 3 394.439 1.385 20 50 GDGDHM Cc1ccc(N2CCCC2)c(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737353252 945046377 /nfs/dbraw/zinc/04/63/77/945046377.db2.gz UGNQHJWXVVAGAD-UHFFFAOYSA-N -1 3 391.435 1.850 20 50 GDGDHM Cc1ccc(N2CCCC2)c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737353252 945046384 /nfs/dbraw/zinc/04/63/84/945046384.db2.gz UGNQHJWXVVAGAD-UHFFFAOYSA-N -1 3 391.435 1.850 20 50 GDGDHM Cc1cccc(C)c1OCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737388191 945052987 /nfs/dbraw/zinc/05/29/87/945052987.db2.gz BWWPCLOZYVJKSH-UHFFFAOYSA-N -1 3 380.408 1.714 20 50 GDGDHM Cc1cccc(C)c1OCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737388191 945052998 /nfs/dbraw/zinc/05/29/98/945052998.db2.gz BWWPCLOZYVJKSH-UHFFFAOYSA-N -1 3 380.408 1.714 20 50 GDGDHM Cc1cccc(OC[C@H](C)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737401615 945060319 /nfs/dbraw/zinc/06/03/19/945060319.db2.gz NFUPZDHODFTFDH-ZDUSSCGKSA-N -1 3 395.423 1.587 20 50 GDGDHM Cc1cccc(OC[C@H](C)NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737401615 945060333 /nfs/dbraw/zinc/06/03/33/945060333.db2.gz NFUPZDHODFTFDH-ZDUSSCGKSA-N -1 3 395.423 1.587 20 50 GDGDHM C[C@H](CCc1cccn1C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820252818 945399464 /nfs/dbraw/zinc/39/94/64/945399464.db2.gz DZBBPKJMBAZJTE-GFCCVEGCSA-N -1 3 382.428 1.171 20 50 GDGDHM C[C@H](CCc1cccn1C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820252818 945399472 /nfs/dbraw/zinc/39/94/72/945399472.db2.gz DZBBPKJMBAZJTE-GFCCVEGCSA-N -1 3 382.428 1.171 20 50 GDGDHM C[C@@H](CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1cccs1 ZINC000820270010 945400825 /nfs/dbraw/zinc/40/08/25/945400825.db2.gz SCGXXIWXYORNJR-LLVKDONJSA-N -1 3 385.453 1.751 20 50 GDGDHM C[C@@H](CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1cccs1 ZINC000820270010 945400835 /nfs/dbraw/zinc/40/08/35/945400835.db2.gz SCGXXIWXYORNJR-LLVKDONJSA-N -1 3 385.453 1.751 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1nc(C(C)(C)C)no1 ZINC000820373480 945434963 /nfs/dbraw/zinc/43/49/63/945434963.db2.gz IGJJALSTLJCRRG-SECBINFHSA-N -1 3 399.415 1.252 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nc(C(C)(C)C)no1 ZINC000820373480 945434965 /nfs/dbraw/zinc/43/49/65/945434965.db2.gz IGJJALSTLJCRRG-SECBINFHSA-N -1 3 399.415 1.252 20 50 GDGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820536788 945479382 /nfs/dbraw/zinc/47/93/82/945479382.db2.gz XQCCSOIIYIUBMA-LLVKDONJSA-N -1 3 384.371 1.163 20 50 GDGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820536788 945479390 /nfs/dbraw/zinc/47/93/90/945479390.db2.gz XQCCSOIIYIUBMA-LLVKDONJSA-N -1 3 384.371 1.163 20 50 GDGDHM C[C@@]1(c2ccccc2)CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820635815 945503071 /nfs/dbraw/zinc/50/30/71/945503071.db2.gz NWWDGYJMKKQQJB-HXUWFJFHSA-N -1 3 391.435 1.885 20 50 GDGDHM C[C@@]1(c2ccccc2)CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820635815 945503080 /nfs/dbraw/zinc/50/30/80/945503080.db2.gz NWWDGYJMKKQQJB-HXUWFJFHSA-N -1 3 391.435 1.885 20 50 GDGDHM CCCC[C@@H](CC)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821040706 945620727 /nfs/dbraw/zinc/62/07/27/945620727.db2.gz QAMZRHWFQOZBTE-GFCCVEGCSA-N -1 3 388.428 1.387 20 50 GDGDHM CCCC[C@@H](CC)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821040706 945620730 /nfs/dbraw/zinc/62/07/30/945620730.db2.gz QAMZRHWFQOZBTE-GFCCVEGCSA-N -1 3 388.428 1.387 20 50 GDGDHM CCc1cnc(CN(C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821496452 945710312 /nfs/dbraw/zinc/71/03/12/945710312.db2.gz GGNBJPOMRPPBKX-UHFFFAOYSA-N -1 3 386.441 1.372 20 50 GDGDHM CCc1cnc(CN(C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821496452 945710316 /nfs/dbraw/zinc/71/03/16/945710316.db2.gz GGNBJPOMRPPBKX-UHFFFAOYSA-N -1 3 386.441 1.372 20 50 GDGDHM CCc1cnc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)s1 ZINC000821499954 945710556 /nfs/dbraw/zinc/71/05/56/945710556.db2.gz XYIIAJTYEKVNTC-XGICHPGQSA-N -1 3 382.453 1.756 20 50 GDGDHM CCc1cnc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)s1 ZINC000821499954 945710558 /nfs/dbraw/zinc/71/05/58/945710558.db2.gz XYIIAJTYEKVNTC-XGICHPGQSA-N -1 3 382.453 1.756 20 50 GDGDHM CCc1noc(CC)c1CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821558913 945714441 /nfs/dbraw/zinc/71/44/41/945714441.db2.gz KKORYHNDNFVAST-QPEQYQDCSA-N -1 3 394.439 1.850 20 50 GDGDHM CCc1noc(CC)c1CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821558913 945714450 /nfs/dbraw/zinc/71/44/50/945714450.db2.gz KKORYHNDNFVAST-QPEQYQDCSA-N -1 3 394.439 1.850 20 50 GDGDHM CCn1nc(C(=O)NN=Cc2ccc(-c3nnn[n-]3)s2)c2ccccc2c1=O ZINC000821566447 945716392 /nfs/dbraw/zinc/71/63/92/945716392.db2.gz DPGMPFCDPYIJNF-UHFFFAOYSA-N -1 3 394.420 1.422 20 50 GDGDHM CN1CC[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1=O ZINC000821621827 945750196 /nfs/dbraw/zinc/75/01/96/945750196.db2.gz HVJARFLCFHGSNZ-QMMMGPOBSA-N -1 3 383.334 1.197 20 50 GDGDHM CN1CC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1=O ZINC000821621827 945750199 /nfs/dbraw/zinc/75/01/99/945750199.db2.gz HVJARFLCFHGSNZ-QMMMGPOBSA-N -1 3 383.334 1.197 20 50 GDGDHM COC(=O)[C@H](NNC(=O)c1cccc(N(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644562 945767507 /nfs/dbraw/zinc/76/75/07/945767507.db2.gz CTLYPSYZZRXDKS-MRXNPFEDSA-N -1 3 395.423 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COCCOC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826160357 609302737 /nfs/dbraw/zinc/30/27/37/609302737.db2.gz PDLXLURGOKUYJB-NTEUORMPSA-N -1 3 379.380 1.364 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](OC(F)F)C2)cc(-c2nnn[n-]2)n1C ZINC000826235805 609320157 /nfs/dbraw/zinc/32/01/57/609320157.db2.gz RTAKZGIDBJNKSD-MVXISAMASA-N -1 3 391.382 1.651 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](OC(F)F)C2)cc(-c2nn[n-]n2)n1C ZINC000826235805 609320158 /nfs/dbraw/zinc/32/01/58/609320158.db2.gz RTAKZGIDBJNKSD-MVXISAMASA-N -1 3 391.382 1.651 20 50 GDGDHM C[C@H]1C[C@@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CC(C)(C)C1 ZINC000824869361 609534101 /nfs/dbraw/zinc/53/41/01/609534101.db2.gz ZTRNCEXNNMYIAT-GXTWGEPZSA-N -1 3 386.456 1.855 20 50 GDGDHM N#Cc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737717560 945116691 /nfs/dbraw/zinc/11/66/91/945116691.db2.gz FUXCRJNCUDMVGZ-UHFFFAOYSA-N -1 3 380.343 1.022 20 50 GDGDHM N#Cc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737717560 945116701 /nfs/dbraw/zinc/11/67/01/945116701.db2.gz FUXCRJNCUDMVGZ-UHFFFAOYSA-N -1 3 380.343 1.022 20 50 GDGDHM N#Cc1cccc(C(=O)NNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737722747 945116926 /nfs/dbraw/zinc/11/69/26/945116926.db2.gz LWQQFSCCHUAISR-UHFFFAOYSA-N -1 3 393.432 1.433 20 50 GDGDHM N#Cc1cccc(C(=O)NNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737722747 945116937 /nfs/dbraw/zinc/11/69/37/945116937.db2.gz LWQQFSCCHUAISR-UHFFFAOYSA-N -1 3 393.432 1.433 20 50 GDGDHM O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737850444 945138984 /nfs/dbraw/zinc/13/89/84/945138984.db2.gz YIVCDCYMKJXFMV-UHFFFAOYSA-N -1 3 375.392 1.742 20 50 GDGDHM O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737850444 945138987 /nfs/dbraw/zinc/13/89/87/945138987.db2.gz YIVCDCYMKJXFMV-UHFFFAOYSA-N -1 3 375.392 1.742 20 50 GDGDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NNC(=O)c1cccc2ncccc21 ZINC000737855040 945139446 /nfs/dbraw/zinc/13/94/46/945139446.db2.gz YHKUOORIVYTUQO-UHFFFAOYSA-N -1 3 387.403 1.809 20 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O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=C1CCOc2ccc(F)cc21 ZINC000737919891 945154935 /nfs/dbraw/zinc/15/49/35/945154935.db2.gz ZTDFFTROVGWYIE-UHFFFAOYSA-N -1 3 382.355 1.688 20 50 GDGDHM O=C(NCCCc1ccc(O)cc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738074293 945180390 /nfs/dbraw/zinc/18/03/90/945180390.db2.gz AGIXDNCUJAKVTG-UHFFFAOYSA-N -1 3 381.396 1.149 20 50 GDGDHM O=C(NCCCc1ccc(O)cc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738074293 945180394 /nfs/dbraw/zinc/18/03/94/945180394.db2.gz AGIXDNCUJAKVTG-UHFFFAOYSA-N -1 3 381.396 1.149 20 50 GDGDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NNC(=O)c1ccc(Cl)cc1 ZINC000738099682 945187178 /nfs/dbraw/zinc/18/71/78/945187178.db2.gz IQTGWUMHNNGSAF-UHFFFAOYSA-N -1 3 389.778 1.803 20 50 GDGDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NNC(=O)c1ccc(Cl)cc1 ZINC000738099682 945187182 /nfs/dbraw/zinc/18/71/82/945187182.db2.gz IQTGWUMHNNGSAF-UHFFFAOYSA-N -1 3 389.778 1.803 20 50 GDGDHM O=C(NCCc1ccc(F)cc1F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738090141 945187656 /nfs/dbraw/zinc/18/76/56/945187656.db2.gz ZYDWFUOHCQNMHY-UHFFFAOYSA-N -1 3 387.350 1.332 20 50 GDGDHM O=C(NCCc1ccc(F)cc1F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738090141 945187663 /nfs/dbraw/zinc/18/76/63/945187663.db2.gz ZYDWFUOHCQNMHY-UHFFFAOYSA-N -1 3 387.350 1.332 20 50 GDGDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NNC(=O)c1cccc2ncccc21 ZINC000738116868 945192413 /nfs/dbraw/zinc/19/24/13/945192413.db2.gz LUXXVAJGYDOWLH-UHFFFAOYSA-N -1 3 388.391 1.559 20 50 GDGDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NNC(=O)c1cccc2ncccc21 ZINC000738116868 945192416 /nfs/dbraw/zinc/19/24/16/945192416.db2.gz LUXXVAJGYDOWLH-UHFFFAOYSA-N -1 3 388.391 1.559 20 50 GDGDHM O=C(NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738129360 945200357 /nfs/dbraw/zinc/20/03/57/945200357.db2.gz ACHVONCYFDDVPY-NWDGAFQWSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738129360 945200362 /nfs/dbraw/zinc/20/03/62/945200362.db2.gz ACHVONCYFDDVPY-NWDGAFQWSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738129634 945203375 /nfs/dbraw/zinc/20/33/75/945203375.db2.gz FURCAAFJCGCEAS-QWHCGFSZSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738129634 945203383 /nfs/dbraw/zinc/20/33/83/945203383.db2.gz FURCAAFJCGCEAS-QWHCGFSZSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)c1ccccc1OCC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134776 945223076 /nfs/dbraw/zinc/22/30/76/945223076.db2.gz TUGJWDMOJZDANO-UHFFFAOYSA-N -1 3 378.392 1.730 20 50 GDGDHM O=C(NNC(=O)c1ccccc1OCC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134776 945223085 /nfs/dbraw/zinc/22/30/85/945223085.db2.gz TUGJWDMOJZDANO-UHFFFAOYSA-N -1 3 378.392 1.730 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CCOc2ccccc21 ZINC000738135667 945226081 /nfs/dbraw/zinc/22/60/81/945226081.db2.gz ASBJMPLGFXGZCN-AWEZNQCLSA-N -1 3 379.380 1.335 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CCOc2ccccc21 ZINC000738135667 945226093 /nfs/dbraw/zinc/22/60/93/945226093.db2.gz ASBJMPLGFXGZCN-AWEZNQCLSA-N -1 3 379.380 1.335 20 50 GDGDHM O=C(NNC(=O)c1cc(=O)[nH]c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738135665 945226716 /nfs/dbraw/zinc/22/67/16/945226716.db2.gz APJDWYPTSJUHLQ-UHFFFAOYSA-N -1 3 375.348 1.195 20 50 GDGDHM O=C(NNC(=O)c1cc(=O)[nH]c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738135665 945226725 /nfs/dbraw/zinc/22/67/25/945226725.db2.gz APJDWYPTSJUHLQ-UHFFFAOYSA-N -1 3 375.348 1.195 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738135678 945227228 /nfs/dbraw/zinc/22/72/28/945227228.db2.gz AVHZVOJAVXAHKR-VXGBXAGGSA-N -1 3 397.361 1.932 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738135678 945227234 /nfs/dbraw/zinc/22/72/34/945227234.db2.gz AVHZVOJAVXAHKR-VXGBXAGGSA-N -1 3 397.361 1.932 20 50 GDGDHM O=C(NNc1cccnn1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738136218 945231079 /nfs/dbraw/zinc/23/10/79/945231079.db2.gz CCQZDVYSOSISCW-UHFFFAOYSA-N -1 3 388.391 1.993 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000738136858 945237309 /nfs/dbraw/zinc/23/73/09/945237309.db2.gz NXLWSCGYAUYOPN-INIZCTEOSA-N -1 3 377.408 1.962 20 50 GDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000738136858 945237319 /nfs/dbraw/zinc/23/73/19/945237319.db2.gz NXLWSCGYAUYOPN-INIZCTEOSA-N -1 3 377.408 1.962 20 50 GDGDHM CC(=O)Nc1cncc(C(=O)NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000819826263 945295488 /nfs/dbraw/zinc/29/54/88/945295488.db2.gz ITMWRHFUVQXNRJ-UHFFFAOYSA-N -1 3 389.379 1.465 20 50 GDGDHM CC(=O)Nc1cncc(C(=O)NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000819826263 945295495 /nfs/dbraw/zinc/29/54/95/945295495.db2.gz ITMWRHFUVQXNRJ-UHFFFAOYSA-N -1 3 389.379 1.465 20 50 GDGDHM CC(C)[C@H]1OCCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820044362 945338011 /nfs/dbraw/zinc/33/80/11/945338011.db2.gz GEKYCGFDFSHCLK-LSDHHAIUSA-N -1 3 387.444 1.262 20 50 GDGDHM CC(C)[C@H]1OCCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820044362 945338019 /nfs/dbraw/zinc/33/80/19/945338019.db2.gz GEKYCGFDFSHCLK-LSDHHAIUSA-N -1 3 387.444 1.262 20 50 GDGDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)C(=O)NNC(=O)CC(C)C ZINC000735420331 944648192 /nfs/dbraw/zinc/64/81/92/944648192.db2.gz OUJOTEJBLLEMCJ-AWEZNQCLSA-N -1 3 385.472 1.437 20 50 GDGDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)C(=O)NNC(=O)CC(C)C ZINC000735420331 944648199 /nfs/dbraw/zinc/64/81/99/944648199.db2.gz OUJOTEJBLLEMCJ-AWEZNQCLSA-N -1 3 385.472 1.437 20 50 GDGDHM C[C@H](C#N)Oc1ccc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000735502228 944665816 /nfs/dbraw/zinc/66/58/16/944665816.db2.gz CGVDDZLETYSQBZ-CYBMUJFWSA-N -1 3 391.391 1.687 20 50 GDGDHM C[C@H](C#N)Oc1ccc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000735502228 944665818 /nfs/dbraw/zinc/66/58/18/944665818.db2.gz CGVDDZLETYSQBZ-CYBMUJFWSA-N -1 3 391.391 1.687 20 50 GDGDHM C[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccccc1 ZINC000735551768 944670815 /nfs/dbraw/zinc/67/08/15/944670815.db2.gz UPLOJIZFIHXFFD-ZDUSSCGKSA-N -1 3 379.424 1.148 20 50 GDGDHM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735594363 944678671 /nfs/dbraw/zinc/67/86/71/944678671.db2.gz RKVPKKIMPSTFRR-AWEZNQCLSA-N -1 3 399.455 1.055 20 50 GDGDHM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735594363 944678674 /nfs/dbraw/zinc/67/86/74/944678674.db2.gz RKVPKKIMPSTFRR-AWEZNQCLSA-N -1 3 399.455 1.055 20 50 GDGDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1ccc(Cl)nn1 ZINC000735736365 944696375 /nfs/dbraw/zinc/69/63/75/944696375.db2.gz STZWEKJONHQSPG-CQSZACIVSA-N -1 3 388.819 1.857 20 50 GDGDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1ccc(Cl)nn1 ZINC000735736365 944696381 /nfs/dbraw/zinc/69/63/81/944696381.db2.gz STZWEKJONHQSPG-CQSZACIVSA-N -1 3 388.819 1.857 20 50 GDGDHM CC(C)COC1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735839450 944706641 /nfs/dbraw/zinc/70/66/41/944706641.db2.gz VENYPENIZGDMRA-UHFFFAOYSA-N 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COCCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821688174 945814973 /nfs/dbraw/zinc/81/49/73/945814973.db2.gz AZDDRIXELALOBV-UHFFFAOYSA-N -1 3 396.407 1.357 20 50 GDGDHM COc1ccc(C=NNC(=O)Cc2cn3ccccc3n2)cc1-c1nnn[n-]1 ZINC000821786602 945864890 /nfs/dbraw/zinc/86/48/90/945864890.db2.gz GIIQUUUQALYGJY-UHFFFAOYSA-N -1 3 376.380 1.216 20 50 GDGDHM COc1ccc(C=NNC(=O)Cc2cn3ccccc3n2)cc1-c1nn[n-]n1 ZINC000821786602 945864903 /nfs/dbraw/zinc/86/49/03/945864903.db2.gz GIIQUUUQALYGJY-UHFFFAOYSA-N -1 3 376.380 1.216 20 50 GDGDHM COc1cccc(O[C@H](C)CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821872744 945889962 /nfs/dbraw/zinc/88/99/62/945889962.db2.gz PGEXPXGVBNBEMO-GFCCVEGCSA-N -1 3 383.412 1.969 20 50 GDGDHM COc1cccc(O[C@H](C)CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821872744 945889973 /nfs/dbraw/zinc/88/99/73/945889973.db2.gz PGEXPXGVBNBEMO-GFCCVEGCSA-N -1 3 383.412 1.969 20 50 GDGDHM Cc1cccc(C(=O)NNC(=O)CSc2nc(C)nc(C)c2-c2nnn[n-]2)c1 ZINC000822284272 946041387 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20 50 GDGDHM NC(=O)c1cccc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822889983 946212016 /nfs/dbraw/zinc/21/20/16/946212016.db2.gz KCWKLIPOVUNJBR-UHFFFAOYSA-N -1 3 391.313 1.741 20 50 GDGDHM NC(=O)c1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822889983 946212032 /nfs/dbraw/zinc/21/20/32/946212032.db2.gz KCWKLIPOVUNJBR-UHFFFAOYSA-N -1 3 391.313 1.741 20 50 GDGDHM O=C(COC/C=C/c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823031756 946283136 /nfs/dbraw/zinc/28/31/36/946283136.db2.gz IKCIHIBOXJQEDQ-VMPITWQZSA-N -1 3 378.392 1.358 20 50 GDGDHM O=C(COC/C=C/c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823031756 946283147 /nfs/dbraw/zinc/28/31/47/946283147.db2.gz IKCIHIBOXJQEDQ-VMPITWQZSA-N -1 3 378.392 1.358 20 50 GDGDHM O=C(COC[C@H]1CCCO1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823032121 946283311 /nfs/dbraw/zinc/28/33/11/946283311.db2.gz NMTXUXVGECXOPC-SNVBAGLBSA-N -1 3 386.334 1.524 20 50 GDGDHM O=C(COC[C@H]1CCCO1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823032121 946283319 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O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000826445544 607854805 /nfs/dbraw/zinc/85/48/05/607854805.db2.gz YFLKWUIAKZYZTM-ZNMIVQPWSA-N -1 3 397.439 1.158 20 50 GDGDHM Cc1ccc(N(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826289613 607921737 /nfs/dbraw/zinc/92/17/37/607921737.db2.gz GWWDPGPGAXQPNG-UHFFFAOYSA-N -1 3 379.424 1.381 20 50 GDGDHM Cc1ccc(N(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826289613 607921738 /nfs/dbraw/zinc/92/17/38/607921738.db2.gz GWWDPGPGAXQPNG-UHFFFAOYSA-N -1 3 379.424 1.381 20 50 GDGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000825395472 607924195 /nfs/dbraw/zinc/92/41/95/607924195.db2.gz PRPHCTKPRJDZOQ-UHFFFAOYSA-N -1 3 383.387 1.293 20 50 GDGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000825395472 607924196 /nfs/dbraw/zinc/92/41/96/607924196.db2.gz PRPHCTKPRJDZOQ-UHFFFAOYSA-N -1 3 383.387 1.293 20 50 GDGDHM C=C[C@H](CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883730 607964673 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GDGDHM O=C(NNC(=O)N1CCc2cccc(F)c2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445205 608402646 /nfs/dbraw/zinc/40/26/46/608402646.db2.gz KTTUJJOJSOYLDV-UHFFFAOYSA-N -1 3 381.371 1.419 20 50 GDGDHM O=C(NNC(=O)N1CCc2cccc(F)c2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445205 608402648 /nfs/dbraw/zinc/40/26/48/608402648.db2.gz KTTUJJOJSOYLDV-UHFFFAOYSA-N -1 3 381.371 1.419 20 50 GDGDHM CC(C)NC(=O)c1ccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824304904 608447720 /nfs/dbraw/zinc/44/77/20/608447720.db2.gz IUKGTKNWIQOOCM-UHFFFAOYSA-N -1 3 393.407 1.080 20 50 GDGDHM CC(C)NC(=O)c1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824304904 608447721 /nfs/dbraw/zinc/44/77/21/608447721.db2.gz IUKGTKNWIQOOCM-UHFFFAOYSA-N -1 3 393.407 1.080 20 50 GDGDHM CCOC(=O)NNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000825522926 608806353 /nfs/dbraw/zinc/80/63/53/608806353.db2.gz LCTVLWADGFNSOH-UHFFFAOYSA-N -1 3 384.356 1.837 20 50 GDGDHM CCOC(=O)NNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000825522926 608806357 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GDGDHM O=C(COc1cccc2cccnc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826418312 609224279 /nfs/dbraw/zinc/22/42/79/609224279.db2.gz AEPLQKGSWCJIRG-UHFFFAOYSA-N -1 3 389.375 1.255 20 50 GDGDHM O=C(COc1cccc2cccnc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826418312 609224282 /nfs/dbraw/zinc/22/42/82/609224282.db2.gz AEPLQKGSWCJIRG-UHFFFAOYSA-N -1 3 389.375 1.255 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2cncc(F)c2)cc(-c2nn[n-]n2)n1C ZINC000826235361 609296950 /nfs/dbraw/zinc/29/69/50/609296950.db2.gz IGUUABXORXPODL-PNCTWXFZSA-N -1 3 380.387 1.832 20 50 GDGDHM COC[C@H](C)OC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826149859 609302723 /nfs/dbraw/zinc/30/27/23/609302723.db2.gz QQMOUOYXMGDJGL-AAWHYMEISA-N -1 3 393.407 1.752 20 50 GDGDHM COC[C@H](C)OC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826149859 609302725 /nfs/dbraw/zinc/30/27/25/609302725.db2.gz QQMOUOYXMGDJGL-AAWHYMEISA-N -1 3 393.407 1.752 20 50 GDGDHM Cc1ccc(C[C@H](C)C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826286576 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C[C@@H](NC(=O)NNC(=O)CCOc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374044 945436316 /nfs/dbraw/zinc/43/63/16/945436316.db2.gz MDTCAOCEPFCAKR-CYBMUJFWSA-N -1 3 395.423 1.727 20 50 GDGDHM C[C@@H](NC(=O)NNC(=O)CCOc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374044 945436322 /nfs/dbraw/zinc/43/63/22/945436322.db2.gz MDTCAOCEPFCAKR-CYBMUJFWSA-N -1 3 395.423 1.727 20 50 GDGDHM C[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000820742008 945542076 /nfs/dbraw/zinc/54/20/76/945542076.db2.gz GZXNFZVHRWNOBA-MLGOLLRUSA-N -1 3 377.408 1.914 20 50 GDGDHM C[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000820742008 945542082 /nfs/dbraw/zinc/54/20/82/945542082.db2.gz GZXNFZVHRWNOBA-MLGOLLRUSA-N -1 3 377.408 1.914 20 50 GDGDHM CCO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C12CCCC2 ZINC000821358897 945679713 /nfs/dbraw/zinc/67/97/13/945679713.db2.gz LJRZNUBOIKTFEW-GJZGRUSLSA-N -1 3 399.455 1.549 20 50 GDGDHM CCO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C12CCCC2 ZINC000821358897 945679718 /nfs/dbraw/zinc/67/97/18/945679718.db2.gz LJRZNUBOIKTFEW-GJZGRUSLSA-N -1 3 399.455 1.549 20 50 GDGDHM CCOc1ccccc1OCC(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821436551 945695964 /nfs/dbraw/zinc/69/59/64/945695964.db2.gz BNBNRBFRVMHMOV-UHFFFAOYSA-N -1 3 384.371 1.934 20 50 GDGDHM CCOc1ccccc1OCC(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821436551 945695972 /nfs/dbraw/zinc/69/59/72/945695972.db2.gz BNBNRBFRVMHMOV-UHFFFAOYSA-N -1 3 384.371 1.934 20 50 GDGDHM CCc1nc2ccccc2n1CC(=O)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821509599 945712791 /nfs/dbraw/zinc/71/27/91/945712791.db2.gz JYIQXKQORZYCIG-UHFFFAOYSA-N -1 3 380.437 1.991 20 50 GDGDHM CN(Cc1cc(Cl)cn1C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821607318 945739595 /nfs/dbraw/zinc/73/95/95/945739595.db2.gz JTCIGTYKANRUDA-UHFFFAOYSA-N -1 3 388.819 1.345 20 50 GDGDHM CN(Cc1cc(Cl)cn1C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821607318 945739600 /nfs/dbraw/zinc/73/96/00/945739600.db2.gz JTCIGTYKANRUDA-UHFFFAOYSA-N -1 3 388.819 1.345 20 50 GDGDHM COc1cccc([C@@H](C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821858466 945889109 /nfs/dbraw/zinc/88/91/09/945889109.db2.gz FZUICZPYLGJMGA-LBPRGKRZSA-N -1 3 380.408 1.830 20 50 GDGDHM COc1cccc([C@@H](C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821858466 945889124 /nfs/dbraw/zinc/88/91/24/945889124.db2.gz FZUICZPYLGJMGA-LBPRGKRZSA-N -1 3 380.408 1.830 20 50 GDGDHM COc1cccc(F)c1[C@H](C)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821872438 945891218 /nfs/dbraw/zinc/89/12/18/945891218.db2.gz MSWKHGRHJHDKFC-JTQLQIEISA-N -1 3 399.386 1.720 20 50 GDGDHM COc1cccc(F)c1[C@H](C)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821872438 945891232 /nfs/dbraw/zinc/89/12/32/945891232.db2.gz MSWKHGRHJHDKFC-JTQLQIEISA-N -1 3 399.386 1.720 20 50 GDGDHM COc1cccc(F)c1[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821873273 945891639 /nfs/dbraw/zinc/89/16/39/945891639.db2.gz UGUCOBBIJXANOZ-SNVBAGLBSA-N -1 3 399.386 1.720 20 50 GDGDHM COc1cccc(F)c1[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821873273 945891646 /nfs/dbraw/zinc/89/16/46/945891646.db2.gz UGUCOBBIJXANOZ-SNVBAGLBSA-N -1 3 399.386 1.720 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)CC(=O)c2ccco2)cc(-c2nn[n-]n2)n1C ZINC000822027506 945933775 /nfs/dbraw/zinc/93/37/75/945933775.db2.gz HRNNSAZBKNKZAS-KYJZABPNSA-N -1 3 393.407 1.791 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCS[C@@H]3COCC[C@H]32)cc(-c2nnn[n-]2)n1C ZINC000822028294 945941739 /nfs/dbraw/zinc/94/17/39/945941739.db2.gz NAUPASLFJDDFAI-BYPYNOPISA-N -1 3 399.480 1.154 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N2CCS[C@@H]3COCC[C@H]32)cc(-c2nn[n-]n2)n1C ZINC000822028294 945941750 /nfs/dbraw/zinc/94/17/50/945941750.db2.gz NAUPASLFJDDFAI-BYPYNOPISA-N -1 3 399.480 1.154 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)cc(-c2nnn[n-]2)n1C ZINC000822028467 945944217 /nfs/dbraw/zinc/94/42/17/945944217.db2.gz OHUQDEPOZRVVMZ-SOZYBPNVSA-N -1 3 383.456 1.598 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)cc(-c2nn[n-]n2)n1C ZINC000822028467 945944226 /nfs/dbraw/zinc/94/42/26/945944226.db2.gz OHUQDEPOZRVVMZ-SOZYBPNVSA-N -1 3 383.456 1.598 20 50 GDGDHM Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000822199064 945985641 /nfs/dbraw/zinc/98/56/41/945985641.db2.gz UXTUWFVVIBUJBB-UHFFFAOYSA-N -1 3 386.416 1.655 20 50 GDGDHM Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822199064 945985646 /nfs/dbraw/zinc/98/56/46/945985646.db2.gz UXTUWFVVIBUJBB-UHFFFAOYSA-N -1 3 386.416 1.655 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2cccc(C)n2)cc(-c2nnn[n-]2)n1C ZINC000822303469 946047368 /nfs/dbraw/zinc/04/73/68/946047368.db2.gz BJWBUJDNGCNMEK-OVCLIPMQSA-N -1 3 376.424 1.783 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2cccc(C)n2)cc(-c2nn[n-]n2)n1C ZINC000822303469 946047380 /nfs/dbraw/zinc/04/73/80/946047380.db2.gz BJWBUJDNGCNMEK-OVCLIPMQSA-N -1 3 376.424 1.783 20 50 GDGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000822645707 946144475 /nfs/dbraw/zinc/14/44/75/946144475.db2.gz LLBQWGIOQRGRFD-UHFFFAOYSA-N -1 3 396.289 1.889 20 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/nfs/dbraw/zinc/31/34/57/946313457.db2.gz RAHZBNADGGXEIX-UHFFFAOYSA-N -1 3 386.415 1.953 20 50 GDGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)Cc1ccc2ccccc2c1 ZINC000823104102 946313473 /nfs/dbraw/zinc/31/34/73/946313473.db2.gz RAHZBNADGGXEIX-UHFFFAOYSA-N -1 3 386.415 1.953 20 50 GDGDHM O=C(NN=C1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823269480 946362268 /nfs/dbraw/zinc/36/22/68/946362268.db2.gz HITVVCDBVMFDBJ-AWEZNQCLSA-N -1 3 395.383 1.873 20 50 GDGDHM O=C(NN=C1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823269480 946362274 /nfs/dbraw/zinc/36/22/74/946362274.db2.gz HITVVCDBVMFDBJ-AWEZNQCLSA-N -1 3 395.383 1.873 20 50 GDGDHM O=C(NNC(=O)N1CCc2ccc(F)c(F)c2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823276990 946391996 /nfs/dbraw/zinc/39/19/96/946391996.db2.gz AVSHYDLZJXFTKX-UHFFFAOYSA-N -1 3 399.361 1.558 20 50 GDGDHM O=C(NNC(=O)N1CCc2ccc(F)c(F)c2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823276990 946392005 /nfs/dbraw/zinc/39/20/05/946392005.db2.gz AVSHYDLZJXFTKX-UHFFFAOYSA-N -1 3 399.361 1.558 20 50 GDGDHM O=C(NNC(=S)N[C@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277246 946396611 /nfs/dbraw/zinc/39/66/11/946396611.db2.gz HUUCKMKYOGODTB-INIZCTEOSA-N -1 3 393.476 1.533 20 50 GDGDHM O=C(NNC(=S)N[C@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277246 946396624 /nfs/dbraw/zinc/39/66/24/946396624.db2.gz HUUCKMKYOGODTB-INIZCTEOSA-N -1 3 393.476 1.533 20 50 GDGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823277178 946397904 /nfs/dbraw/zinc/39/79/04/946397904.db2.gz GICOMOGALOBLJW-HZPDHXFCSA-N -1 3 377.408 1.442 20 50 GDGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823277178 946397915 /nfs/dbraw/zinc/39/79/15/946397915.db2.gz GICOMOGALOBLJW-HZPDHXFCSA-N -1 3 377.408 1.442 20 50 GDGDHM CC(C)C(=O)NNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824183978 946610702 /nfs/dbraw/zinc/61/07/02/946610702.db2.gz AANZHVVEUVXUPR-UHFFFAOYSA-N -1 3 382.384 1.863 20 50 GDGDHM CC(C)C(=O)NNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824183978 946610709 /nfs/dbraw/zinc/61/07/09/946610709.db2.gz AANZHVVEUVXUPR-UHFFFAOYSA-N -1 3 382.384 1.863 20 50 GDGDHM CCc1cnccc1CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825739183 947307292 /nfs/dbraw/zinc/30/72/92/947307292.db2.gz AZAWYAHHDCFGPH-APSNUPSMSA-N -1 3 376.424 1.694 20 50 GDGDHM CCc1cnccc1CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825739183 947307303 /nfs/dbraw/zinc/30/73/03/947307303.db2.gz AZAWYAHHDCFGPH-APSNUPSMSA-N -1 3 376.424 1.694 20 50 GDGDHM CO[C@@H]1[C@H](C)[C@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1(C)C ZINC000826144185 947451411 /nfs/dbraw/zinc/45/14/11/947451411.db2.gz CYGAUJVJQQZQII-NGINEESASA-N -1 3 383.456 1.596 20 50 GDGDHM CO[C@@H]1[C@H](C)[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1(C)C ZINC000826144185 947451418 /nfs/dbraw/zinc/45/14/18/947451418.db2.gz CYGAUJVJQQZQII-NGINEESASA-N -1 3 383.456 1.596 20 50 GDGDHM O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826449848 948313459 /nfs/dbraw/zinc/31/34/59/948313459.db2.gz MEJQHQWFNJULAN-UHFFFAOYSA-N -1 3 388.395 1.292 20 50 GDGDHM O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826449848 948313467 /nfs/dbraw/zinc/31/34/67/948313467.db2.gz MEJQHQWFNJULAN-UHFFFAOYSA-N -1 3 388.395 1.292 20 50 GDGDHM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826287779 607334509 /nfs/dbraw/zinc/33/45/09/607334509.db2.gz CRYNXYCWJDIYMP-QGZVFWFLSA-N -1 3 391.435 1.809 20 50 GDGDHM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826287779 607334511 /nfs/dbraw/zinc/33/45/11/607334511.db2.gz CRYNXYCWJDIYMP-QGZVFWFLSA-N -1 3 391.435 1.809 20 50 GDGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNc2ccccc2F)cc1 ZINC000826395284 607337859 /nfs/dbraw/zinc/33/78/59/607337859.db2.gz VHJRNKWUFIJPFL-UHFFFAOYSA-N -1 3 379.359 1.531 20 50 GDGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNc2ccccc2F)cc1 ZINC000826395284 607337861 /nfs/dbraw/zinc/33/78/61/607337861.db2.gz VHJRNKWUFIJPFL-UHFFFAOYSA-N -1 3 379.359 1.531 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O=C(NCCCCNc1ccccn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738054683 945179249 /nfs/dbraw/zinc/17/92/49/945179249.db2.gz RQAUCZSSNSTELV-UHFFFAOYSA-N -1 3 395.427 1.098 20 50 GDGDHM O=C(NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)NC1CCCCC1 ZINC000738129381 945201342 /nfs/dbraw/zinc/20/13/42/945201342.db2.gz AJHQEOMTXBSKJO-MRXNPFEDSA-N -1 3 398.471 1.499 20 50 GDGDHM O=C(NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738130081 945206950 /nfs/dbraw/zinc/20/69/50/945206950.db2.gz IXHGAZRXTBCJFU-NWDGAFQWSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738130081 945206957 /nfs/dbraw/zinc/20/69/57/945206957.db2.gz IXHGAZRXTBCJFU-NWDGAFQWSA-N -1 3 384.346 1.710 20 50 GDGDHM O=C(NNC(=O)C1CC1)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000738130343 945208799 /nfs/dbraw/zinc/20/87/99/945208799.db2.gz QDZBYQJXSNXDBE-UHFFFAOYSA-N -1 3 384.425 1.477 20 50 GDGDHM O=C(NNC(=O)C1CC1)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000738130343 945208807 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ZINC000820032613 945335476 /nfs/dbraw/zinc/33/54/76/945335476.db2.gz OSHNVVOPMJLAGL-HNNXBMFYSA-N -1 3 387.831 1.884 20 50 GDGDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1ccncc1Cl ZINC000820032613 945335486 /nfs/dbraw/zinc/33/54/86/945335486.db2.gz OSHNVVOPMJLAGL-HNNXBMFYSA-N -1 3 387.831 1.884 20 50 GDGDHM CC(C)C[C@@H](C)OCCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820056541 945339534 /nfs/dbraw/zinc/33/95/34/945339534.db2.gz QKQATVUTLKGUSN-CYBMUJFWSA-N -1 3 390.444 1.234 20 50 GDGDHM CC(C)(C(=O)NNC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735581235 944673578 /nfs/dbraw/zinc/67/35/78/944673578.db2.gz RBULJQRPDBGEFZ-UHFFFAOYSA-N -1 3 379.424 1.675 20 50 GDGDHM CC(C)(C(=O)NNC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735581235 944673585 /nfs/dbraw/zinc/67/35/85/944673585.db2.gz RBULJQRPDBGEFZ-UHFFFAOYSA-N -1 3 379.424 1.675 20 50 GDGDHM CC(C)CC(=O)NNC(=O)[C@@H](C)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735757812 944699820 /nfs/dbraw/zinc/69/98/20/944699820.db2.gz DROWKTFFDLJCCY-CYBMUJFWSA-N -1 3 385.472 1.413 20 50 GDGDHM C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736016585 944732978 /nfs/dbraw/zinc/73/29/78/944732978.db2.gz BEFWWOYJHKJKIZ-NSHDSACASA-N -1 3 383.387 1.754 20 50 GDGDHM C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000736016585 944732985 /nfs/dbraw/zinc/73/29/85/944732985.db2.gz BEFWWOYJHKJKIZ-NSHDSACASA-N -1 3 383.387 1.754 20 50 GDGDHM C[C@H](CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Oc1ccccc1 ZINC000736018924 944736164 /nfs/dbraw/zinc/73/61/64/944736164.db2.gz XVKBVNBIVCQBBQ-GFCCVEGCSA-N -1 3 381.396 1.278 20 50 GDGDHM C[C@H](CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1 ZINC000736018924 944736169 /nfs/dbraw/zinc/73/61/69/944736169.db2.gz XVKBVNBIVCQBBQ-GFCCVEGCSA-N -1 3 381.396 1.278 20 50 GDGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736116725 944740523 /nfs/dbraw/zinc/74/05/23/944740523.db2.gz GGGGCMWRQLXEFE-VIFPVBQESA-N -1 3 387.350 1.850 20 50 GDGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000736116725 944740530 /nfs/dbraw/zinc/74/05/30/944740530.db2.gz GGGGCMWRQLXEFE-VIFPVBQESA-N -1 3 387.350 1.850 20 50 GDGDHM C[C@@H]1CCCC[C@H]1OCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736272586 944785274 /nfs/dbraw/zinc/78/52/74/944785274.db2.gz PZELERSNBOVGCG-IUODEOHRSA-N -1 3 387.444 1.406 20 50 GDGDHM C[C@@H]1CCCC[C@H]1OCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736272586 944785279 /nfs/dbraw/zinc/78/52/79/944785279.db2.gz PZELERSNBOVGCG-IUODEOHRSA-N -1 3 387.444 1.406 20 50 GDGDHM CCN(C(C)=O)c1nc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000736509011 944837529 /nfs/dbraw/zinc/83/75/29/944837529.db2.gz QCRFDDVHDLODRZ-UHFFFAOYSA-N -1 3 384.425 1.460 20 50 GDGDHM CCN(C(C)=O)c1nc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000736509011 944837538 /nfs/dbraw/zinc/83/75/38/944837538.db2.gz QCRFDDVHDLODRZ-UHFFFAOYSA-N -1 3 384.425 1.460 20 50 GDGDHM CCc1nc(CCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000736701109 944873134 /nfs/dbraw/zinc/87/31/34/944873134.db2.gz ZTKQHDOLMACMIS-UHFFFAOYSA-N -1 3 386.441 1.072 20 50 GDGDHM CCc1nc(CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000736701109 944873141 /nfs/dbraw/zinc/87/31/41/944873141.db2.gz ZTKQHDOLMACMIS-UHFFFAOYSA-N -1 3 386.441 1.072 20 50 GDGDHM CN(C)[C@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000736753779 944883725 /nfs/dbraw/zinc/88/37/25/944883725.db2.gz QTKLOTFZXYBOCZ-HNNXBMFYSA-N -1 3 399.842 1.584 20 50 GDGDHM CN(C)[C@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000736753779 944883730 /nfs/dbraw/zinc/88/37/30/944883730.db2.gz QTKLOTFZXYBOCZ-HNNXBMFYSA-N -1 3 399.842 1.584 20 50 GDGDHM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736772274 944888672 /nfs/dbraw/zinc/88/86/72/944888672.db2.gz DHSPFVKIHDQKIC-DLBZAZTESA-N -1 3 391.435 1.497 20 50 GDGDHM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736772274 944888681 /nfs/dbraw/zinc/88/86/81/944888681.db2.gz DHSPFVKIHDQKIC-DLBZAZTESA-N -1 3 391.435 1.497 20 50 GDGDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NNC(=O)c1cccc(C#N)c1 ZINC000736820866 944896293 /nfs/dbraw/zinc/89/62/93/944896293.db2.gz RBYYRDLOUSOMHF-UHFFFAOYSA-N -1 3 376.380 1.225 20 50 GDGDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NNC(=O)c1cccc(C#N)c1 ZINC000736820866 944896304 /nfs/dbraw/zinc/89/63/04/944896304.db2.gz RBYYRDLOUSOMHF-UHFFFAOYSA-N -1 3 376.380 1.225 20 50 GDGDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)c1cccc(C#N)c1 ZINC000736818093 944896377 /nfs/dbraw/zinc/89/63/77/944896377.db2.gz NBBZRTYYHWIVRG-UHFFFAOYSA-N -1 3 376.380 1.225 20 50 GDGDHM COC(=O)c1cc(OC(=O)COc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000736950771 944917551 /nfs/dbraw/zinc/91/75/51/944917551.db2.gz NMYVNGQVYYFLPN-UHFFFAOYSA-N -1 3 399.319 1.546 20 50 GDGDHM COC(=O)c1cc(OC(=O)COc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000736950771 944917561 /nfs/dbraw/zinc/91/75/61/944917561.db2.gz NMYVNGQVYYFLPN-UHFFFAOYSA-N -1 3 399.319 1.546 20 50 GDGDHM CO[C@@H](CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C(F)(F)F ZINC000736959389 944919352 /nfs/dbraw/zinc/91/93/52/944919352.db2.gz BTSPVNLNDBJCOI-JOTVYFQTSA-N -1 3 383.334 1.114 20 50 GDGDHM CO[C@@H](CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(F)(F)F ZINC000736959389 944919356 /nfs/dbraw/zinc/91/93/56/944919356.db2.gz BTSPVNLNDBJCOI-JOTVYFQTSA-N -1 3 383.334 1.114 20 50 GDGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNc1cc(F)c(F)cc1F ZINC000737024371 944935481 /nfs/dbraw/zinc/93/54/81/944935481.db2.gz RDMOMZSYXUBJCT-UHFFFAOYSA-N -1 3 394.313 1.815 20 50 GDGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNc1cc(F)c(F)cc1F ZINC000737024371 944935485 /nfs/dbraw/zinc/93/54/85/944935485.db2.gz RDMOMZSYXUBJCT-UHFFFAOYSA-N -1 3 394.313 1.815 20 50 GDGDHM COc1ccc(C=NNC(=O)COc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000737080592 944950617 /nfs/dbraw/zinc/95/06/17/944950617.db2.gz CXYVFWVJOKHBPU-UHFFFAOYSA-N -1 3 377.364 1.276 20 50 GDGDHM COc1ccc(C=NNC(=O)COc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000737080592 944950622 /nfs/dbraw/zinc/95/06/22/944950622.db2.gz CXYVFWVJOKHBPU-UHFFFAOYSA-N -1 3 377.364 1.276 20 50 GDGDHM COc1ccccc1C(C)(C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737137871 944965789 /nfs/dbraw/zinc/96/57/89/944965789.db2.gz JUVBEAZPVDVYPV-UHFFFAOYSA-N -1 3 380.408 1.614 20 50 GDGDHM COc1ccccc1C(C)(C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737137871 944965794 /nfs/dbraw/zinc/96/57/94/944965794.db2.gz JUVBEAZPVDVYPV-UHFFFAOYSA-N -1 3 380.408 1.614 20 50 GDGDHM C[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1nnc2n1CCCCC2 ZINC000737194297 944981341 /nfs/dbraw/zinc/98/13/41/944981341.db2.gz HRRRHKPAWMKBBO-LLVKDONJSA-N -1 3 382.432 1.572 20 50 GDGDHM C[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1nnc2n1CCCCC2 ZINC000737194297 944981348 /nfs/dbraw/zinc/98/13/48/944981348.db2.gz HRRRHKPAWMKBBO-LLVKDONJSA-N -1 3 382.432 1.572 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC[S@@](=O)C(C)(C)C)cc(-c2nnn[n-]2)n1C ZINC000737212080 944990236 /nfs/dbraw/zinc/99/02/36/944990236.db2.gz HQUVAWQCSUEAFL-KYJNCLHHSA-N -1 3 389.485 1.084 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NCC[S@@](=O)C(C)(C)C)cc(-c2nn[n-]n2)n1C ZINC000737212080 944990243 /nfs/dbraw/zinc/99/02/43/944990243.db2.gz HQUVAWQCSUEAFL-KYJNCLHHSA-N -1 3 389.485 1.084 20 50 GDGDHM Cc1cc(C(=O)NNC(=O)NC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236199 945017119 /nfs/dbraw/zinc/01/71/19/945017119.db2.gz GCZTZGRXCQCAQF-UHFFFAOYSA-N -1 3 382.428 1.627 20 50 GDGDHM Cc1cc(C)n(CCOC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000737256131 945021912 /nfs/dbraw/zinc/02/19/12/945021912.db2.gz GWGZHKOEBMCJOE-OVCLIPMQSA-N -1 3 380.412 1.477 20 50 GDGDHM Cc1cc(C)n(CCOC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000737256131 945021922 /nfs/dbraw/zinc/02/19/22/945021922.db2.gz GWGZHKOEBMCJOE-OVCLIPMQSA-N -1 3 380.412 1.477 20 50 GDGDHM Cc1cc(NNC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)ncn1 ZINC000737281702 945031321 /nfs/dbraw/zinc/03/13/21/945031321.db2.gz WIUUHBDAENWYNT-UHFFFAOYSA-N -1 3 392.379 1.894 20 50 GDGDHM Cc1ccc(OCC(=O)NNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737363514 945050077 /nfs/dbraw/zinc/05/00/77/945050077.db2.gz AOVJKTWGXKMPEQ-UHFFFAOYSA-N -1 3 399.386 1.224 20 50 GDGDHM Cc1ccc(OCC(=O)NNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737363514 945050087 /nfs/dbraw/zinc/05/00/87/945050087.db2.gz AOVJKTWGXKMPEQ-UHFFFAOYSA-N -1 3 399.386 1.224 20 50 GDGDHM Cc1cccc([C@@H](C)CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737387416 945053279 /nfs/dbraw/zinc/05/32/79/945053279.db2.gz HUPLLJQUOBEQAI-ZDUSSCGKSA-N -1 3 379.424 1.923 20 50 GDGDHM Cc1cccc([C@@H](C)CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737387416 945053289 /nfs/dbraw/zinc/05/32/89/945053289.db2.gz HUPLLJQUOBEQAI-ZDUSSCGKSA-N -1 3 379.424 1.923 20 50 GDGDHM Cc1ccccc1C1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737419069 945061833 /nfs/dbraw/zinc/06/18/33/945061833.db2.gz BXWISMVDSCYGSE-UHFFFAOYSA-N -1 3 391.435 1.851 20 50 GDGDHM Cc1ccccc1C1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737419069 945061844 /nfs/dbraw/zinc/06/18/44/945061844.db2.gz BXWISMVDSCYGSE-UHFFFAOYSA-N -1 3 391.435 1.851 20 50 GDGDHM C[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cn(-c2ccccc2)nn1 ZINC000820373860 945436764 /nfs/dbraw/zinc/43/67/64/945436764.db2.gz KEXBILJFXAZPKF-GFCCVEGCSA-N -1 3 390.411 1.835 20 50 GDGDHM C[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cn(-c2ccccc2)nn1 ZINC000820373860 945436776 /nfs/dbraw/zinc/43/67/76/945436776.db2.gz KEXBILJFXAZPKF-GFCCVEGCSA-N -1 3 390.411 1.835 20 50 GDGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1nc(C(C)(C)C)no1 ZINC000820375073 945441486 /nfs/dbraw/zinc/44/14/86/945441486.db2.gz XHRDVCWRHIPVBF-VIFPVBQESA-N -1 3 399.415 1.252 20 50 GDGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1nc(C(C)(C)C)no1 ZINC000820375073 945441494 /nfs/dbraw/zinc/44/14/94/945441494.db2.gz XHRDVCWRHIPVBF-VIFPVBQESA-N -1 3 399.415 1.252 20 50 GDGDHM C[C@@H](NCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000820420975 945447665 /nfs/dbraw/zinc/44/76/65/945447665.db2.gz YXURKRQRSAHMMW-LLVKDONJSA-N -1 3 399.842 1.632 20 50 GDGDHM C[C@@H]1CCC[C@@H](C)C1NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820690450 945526002 /nfs/dbraw/zinc/52/60/02/945526002.db2.gz LZXYPQDCDSCLTJ-VXGBXAGGSA-N -1 3 387.444 1.401 20 50 GDGDHM C[C@@H]1CCC[C@@H](C)C1NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820690450 945526011 /nfs/dbraw/zinc/52/60/11/945526011.db2.gz LZXYPQDCDSCLTJ-VXGBXAGGSA-N -1 3 387.444 1.401 20 50 GDGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000820752532 945550282 /nfs/dbraw/zinc/55/02/82/945550282.db2.gz OBNJLUKVHADIQN-FZKQIMNGSA-N -1 3 391.435 1.321 20 50 GDGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000820752532 945550288 /nfs/dbraw/zinc/55/02/88/945550288.db2.gz OBNJLUKVHADIQN-FZKQIMNGSA-N -1 3 391.435 1.321 20 50 GDGDHM CCCOc1cccc(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821133602 945640127 /nfs/dbraw/zinc/64/01/27/945640127.db2.gz BRVJEPNMBPXJGD-UHFFFAOYSA-N -1 3 380.408 1.659 20 50 GDGDHM CCCOc1cccc(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821133602 945640133 /nfs/dbraw/zinc/64/01/33/945640133.db2.gz BRVJEPNMBPXJGD-UHFFFAOYSA-N -1 3 380.408 1.659 20 50 GDGDHM CCOc1cc(C)ccc1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821394067 945688885 /nfs/dbraw/zinc/68/88/85/945688885.db2.gz FRSMJZVUKANZNL-UHFFFAOYSA-N -1 3 395.423 1.718 20 50 GDGDHM CCOc1cc(C)ccc1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821394067 945688888 /nfs/dbraw/zinc/68/88/88/945688888.db2.gz FRSMJZVUKANZNL-UHFFFAOYSA-N -1 3 395.423 1.718 20 50 GDGDHM CCS[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821454254 945698065 /nfs/dbraw/zinc/69/80/65/945698065.db2.gz FCEBTWDNKXVCKD-KGLIPLIRSA-N -1 3 389.485 1.875 20 50 GDGDHM CCS[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821454254 945698072 /nfs/dbraw/zinc/69/80/72/945698072.db2.gz FCEBTWDNKXVCKD-KGLIPLIRSA-N -1 3 389.485 1.875 20 50 GDGDHM CCc1ncncc1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821518482 945711877 /nfs/dbraw/zinc/71/18/77/945711877.db2.gz WIKKBTWVEHQFEX-UHFFFAOYSA-N -1 3 378.318 1.995 20 50 GDGDHM CCc1ncncc1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821518482 945711883 /nfs/dbraw/zinc/71/18/83/945711883.db2.gz WIKKBTWVEHQFEX-UHFFFAOYSA-N -1 3 378.318 1.995 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)c1cccc(N(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644561 945767523 /nfs/dbraw/zinc/76/75/23/945767523.db2.gz CTLYPSYZZRXDKS-INIZCTEOSA-N -1 3 395.423 1.081 20 50 GDGDHM COC(=O)[C@@H](NNC(=O)c1cccc(N(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644561 945767527 /nfs/dbraw/zinc/76/75/27/945767527.db2.gz CTLYPSYZZRXDKS-INIZCTEOSA-N -1 3 395.423 1.081 20 50 GDGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNc1cccnc1Cl ZINC000821701341 945836592 /nfs/dbraw/zinc/83/65/92/945836592.db2.gz LDLYTCCLIVLLPH-UHFFFAOYSA-N -1 3 375.776 1.446 20 50 GDGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNc1cccnc1Cl ZINC000821701341 945836609 /nfs/dbraw/zinc/83/66/09/945836609.db2.gz LDLYTCCLIVLLPH-UHFFFAOYSA-N -1 3 375.776 1.446 20 50 GDGDHM COc1cc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)ccc1O ZINC000821716958 945845408 /nfs/dbraw/zinc/84/54/08/945845408.db2.gz IJRMRKNYVAMPDP-VGOFMYFVSA-N -1 3 393.407 1.451 20 50 GDGDHM COc1cc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)ccc1O ZINC000821716958 945845419 /nfs/dbraw/zinc/84/54/19/945845419.db2.gz IJRMRKNYVAMPDP-VGOFMYFVSA-N -1 3 393.407 1.451 20 50 GDGDHM COc1cc(OC)cc(OCCNC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821728239 945852680 /nfs/dbraw/zinc/85/26/80/945852680.db2.gz SDYQHJMAKUPZHA-UHFFFAOYSA-N -1 3 399.411 1.589 20 50 GDGDHM COc1cc(OC)cc(OCCNC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821728239 945852700 /nfs/dbraw/zinc/85/27/00/945852700.db2.gz SDYQHJMAKUPZHA-UHFFFAOYSA-N -1 3 399.411 1.589 20 50 GDGDHM COc1ccc(O)c(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)c1 ZINC000821838912 945880717 /nfs/dbraw/zinc/88/07/17/945880717.db2.gz RFMSFJSPMMSFAL-MLPAPPSSSA-N -1 3 393.407 1.451 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)Nc2ccnn2CC2CC2)cc(-c2nn[n-]n2)n1C ZINC000822027821 945936486 /nfs/dbraw/zinc/93/64/86/945936486.db2.gz JQZZBFOANUEHSK-AUWJEWJLSA-N -1 3 377.412 1.666 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](C)C(=O)OC(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027991 945938475 /nfs/dbraw/zinc/93/84/75/945938475.db2.gz KRSKZYFBBWTDLP-MQOXYSQQSA-N -1 3 385.428 1.125 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](C)C(=O)OC(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027991 945938481 /nfs/dbraw/zinc/93/84/81/945938481.db2.gz KRSKZYFBBWTDLP-MQOXYSQQSA-N -1 3 385.428 1.125 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)Cc2ccc(O)cc2)cc(-c2nn[n-]n2)n1C ZINC000822028196 945939473 /nfs/dbraw/zinc/93/94/73/945939473.db2.gz MBQDETYSDQVGGN-GFQQVXNGSA-N -1 3 391.435 1.874 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](C)Cn2ccnc2)cc(-c2nn[n-]n2)n1C ZINC000822029463 945958193 /nfs/dbraw/zinc/95/81/93/945958193.db2.gz ZCGGZDVCVGULEQ-BYQGBLLGSA-N -1 3 379.428 1.070 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](CCO)CC(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029492 945958429 /nfs/dbraw/zinc/95/84/29/945958429.db2.gz ZYOQJDQDOLAITO-MEFZMRIGSA-N -1 3 385.472 1.582 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](CCO)CC(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029492 945958432 /nfs/dbraw/zinc/95/84/32/945958432.db2.gz ZYOQJDQDOLAITO-MEFZMRIGSA-N -1 3 385.472 1.582 20 50 GDGDHM Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)CO2 ZINC000822274740 946038573 /nfs/dbraw/zinc/03/85/73/946038573.db2.gz HTYWKTRXZYDVRY-CQSZACIVSA-N -1 3 379.380 1.253 20 50 GDGDHM Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)CO2 ZINC000822274740 946038583 /nfs/dbraw/zinc/03/85/83/946038583.db2.gz HTYWKTRXZYDVRY-CQSZACIVSA-N -1 3 379.380 1.253 20 50 GDGDHM Cc1cccc(C)c1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822294177 946048787 /nfs/dbraw/zinc/04/87/87/946048787.db2.gz UNAHHBHRZAGHGW-UHFFFAOYSA-N -1 3 394.391 1.102 20 50 GDGDHM Cc1cccc(C)c1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822294177 946048797 /nfs/dbraw/zinc/04/87/97/946048797.db2.gz UNAHHBHRZAGHGW-UHFFFAOYSA-N -1 3 394.391 1.102 20 50 GDGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=S)Nc1cccc(Cl)c1 ZINC000822645833 946145462 /nfs/dbraw/zinc/14/54/62/946145462.db2.gz RKNAAIQVOCJNKT-UHFFFAOYSA-N -1 3 376.833 1.490 20 50 GDGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=S)Nc1cccc(Cl)c1 ZINC000822645833 946145469 /nfs/dbraw/zinc/14/54/69/946145469.db2.gz RKNAAIQVOCJNKT-UHFFFAOYSA-N -1 3 376.833 1.490 20 50 GDGDHM Cn1cc(C(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000822669420 946150708 /nfs/dbraw/zinc/15/07/08/946150708.db2.gz JTYXTJPIGHNVQI-UHFFFAOYSA-N -1 3 375.392 1.362 20 50 GDGDHM Cn1cc(C(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000822669420 946150714 /nfs/dbraw/zinc/15/07/14/946150714.db2.gz JTYXTJPIGHNVQI-UHFFFAOYSA-N -1 3 375.392 1.362 20 50 GDGDHM O=C(COc1ccc(-c2nn[nH]n2)cc1)N[N-]C(=O)c1cccc(F)c1Cl ZINC000823037357 946288917 /nfs/dbraw/zinc/28/89/17/946288917.db2.gz WBBYUYSTVZELPU-UHFFFAOYSA-N -1 3 390.762 1.499 20 50 GDGDHM O=C(Cc1cc(F)c(F)cc1F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823074496 946302632 /nfs/dbraw/zinc/30/26/32/946302632.db2.gz SSDDREKLQHYEMR-UHFFFAOYSA-N -1 3 376.298 1.288 20 50 GDGDHM 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GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](C)c2ccncc2)cc(-c2nn[n-]n2)n1C ZINC000822027580 945933235 /nfs/dbraw/zinc/93/32/35/945933235.db2.gz ILJXDMCONNBYNZ-WIJRQFRKSA-N -1 3 376.424 1.736 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2CSCCS2)cc(-c2nnn[n-]2)n1C ZINC000822028436 945945205 /nfs/dbraw/zinc/94/52/05/945945205.db2.gz NZODJYCRMFGEFC-YFTXEMMHSA-N -1 3 389.510 1.385 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2CSCCS2)cc(-c2nn[n-]n2)n1C ZINC000822028436 945945217 /nfs/dbraw/zinc/94/52/17/945945217.db2.gz NZODJYCRMFGEFC-YFTXEMMHSA-N -1 3 389.510 1.385 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)NC2CCCC2)cc(-c2nnn[n-]2)n1C ZINC000822028928 945950047 /nfs/dbraw/zinc/95/00/47/945950047.db2.gz UDRRDPYIFAORQX-UGMNDJHYSA-N -1 3 397.439 1.411 20 50 GDGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)NC2CCCC2)cc(-c2nn[n-]n2)n1C ZINC000822028928 945950053 /nfs/dbraw/zinc/95/00/53/945950053.db2.gz UDRRDPYIFAORQX-UGMNDJHYSA-N -1 3 397.439 1.411 20 50 GDGDHM Cc1c(/C=C(\C#N)C(=O)Nc2cc(C)cn(C)c2=O)cc(-c2nn[n-]n2)n1C 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